USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 HIS : no HD1:sc= -1.04 X(o=-0.26,f=-0.078) USER MOD Set 1.2: A 89 THR OG1 : rot 52:sc= 0.773 USER MOD Set 2.1: A 74 ASN : amide:sc= -8.55! C(o=-8.6!,f=-5.3!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.0591 K(o=-8.6,f=-5.3) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.74 K(o=1.7,f=-1.4) USER MOD Set 3.2: A 72 SER OG : rot 136:sc= 0.924 USER MOD Set 4.1: A 51 THR OG1 : rot 172:sc= 0.0326 USER MOD Set 4.2: A 53 TYR OH : rot 30:sc= 0.0348 USER MOD Set 5.1: A 46 ASN : amide:sc= 0.243 K(o=0.55,f=-1.2) USER MOD Set 5.2: A 50 SER OG : rot -106:sc= 0.307 USER MOD Set 6.1: A 24 SER OG : rot 180:sc= -0.105 USER MOD Set 6.2: A 27 ASN : amide:sc= -2.13 K(o=-2.2,f=1.3) USER MOD Set 7.1: A 23 TYR OH : rot -101:sc= 0.0633 USER MOD Set 7.2: A 106 ASN : amide:sc= -0.109 X(o=-0.045,f=0.18) USER MOD Set 8.1: A 20 TYR OH : rot -15:sc= -0.916 USER MOD Set 8.2: A 96 LYS NZ :NH3+ -151:sc= 0.362 (180deg=0.0154) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 154:sc= -0.158 (180deg=-0.761) USER MOD Single : A 12 MET CE :methyl -174:sc= -11.8! (180deg=-12.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ 143:sc= 0.907 (180deg=0.0824) USER MOD Single : A 36 SER OG : rot -96:sc= -1.41! USER MOD Single : A 37 ASN : amide:sc= -0.0455 X(o=-0.045,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.252 K(o=-0.25,f=-4.1!) USER MOD Single : A 40 THR OG1 : rot 87:sc= 0.942 USER MOD Single : A 41 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.19) USER MOD Single : A 43 THR OG1 : rot -16:sc= 0.382! USER MOD Single : A 44 ASN : amide:sc= -0.0212 X(o=-0.021,f=0.35) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -4.58! C(o=-4.6!,f=-2.8!) USER MOD Single : A 59 ASN : amide:sc= -4.19! C(o=-4.2!,f=-9.1!) USER MOD Single : A 60 SER OG : rot -170:sc=-0.00293 USER MOD Single : A 69 THR OG1 : rot 77:sc= 1.17 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 72:sc= 0.0727 USER MOD Single : A 91 SER OG : rot -87:sc= 1.47 USER MOD Single : A 93 ASN : amide:sc= -3.37! C(o=-3.4!,f=-6.8!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -31:sc= 0.0403 USER MOD Single : A 103 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.14) USER MOD Single : A 105 MET CE :methyl -146:sc= -3.97 (180deg=-5.54!) USER MOD Single : A 113 ASN : amide:sc= -0.413 K(o=-0.41,f=-1.4) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -57:sc= 0.534 USER MOD Single : A 121 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.645 -10.987 2.158 1.00 0.00 N ATOM 2 CA LYS A 1 -5.604 -11.537 1.252 1.00 0.00 C ATOM 3 C LYS A 1 -4.615 -10.455 0.827 1.00 0.00 C ATOM 4 O LYS A 1 -4.781 -9.827 -0.218 1.00 0.00 O ATOM 5 CB LYS A 1 -6.292 -12.136 0.024 1.00 0.00 C ATOM 6 CG LYS A 1 -6.805 -13.549 0.244 1.00 0.00 C ATOM 7 CD LYS A 1 -8.079 -13.808 -0.545 1.00 0.00 C ATOM 8 CE LYS A 1 -7.774 -14.272 -1.960 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.024 -15.559 -1.973 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.303 -11.745 2.431 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.193 -10.598 3.010 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.168 -10.233 1.668 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.041 -12.307 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.126 -11.496 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.590 -12.139 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.039 -14.266 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.995 -13.707 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.677 -14.563 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.677 -12.898 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.706 -14.390 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.192 -13.508 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.208 -16.059 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.005 -15.368 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.334 -16.150 -1.175 1.00 0.00 H new ATOM 25 N VAL A 2 -3.590 -10.243 1.645 1.00 0.00 N ATOM 26 CA VAL A 2 -2.573 -9.237 1.357 1.00 0.00 C ATOM 27 C VAL A 2 -1.416 -9.839 0.562 1.00 0.00 C ATOM 28 O VAL A 2 -1.076 -11.010 0.735 1.00 0.00 O ATOM 29 CB VAL A 2 -2.025 -8.614 2.662 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.793 -7.764 2.390 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.094 -7.781 3.349 1.00 0.00 C ATOM 0 H VAL A 2 -3.441 -10.755 2.514 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.048 -8.458 0.761 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.737 -9.431 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.430 -7.339 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.014 -8.384 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.051 -6.959 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.688 -7.352 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.414 -6.979 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.948 -8.414 3.592 1.00 0.00 H new ATOM 41 N PHE A 3 -0.797 -9.023 -0.287 1.00 0.00 N ATOM 42 CA PHE A 3 0.341 -9.456 -1.084 1.00 0.00 C ATOM 43 C PHE A 3 1.540 -9.746 -0.193 1.00 0.00 C ATOM 44 O PHE A 3 1.595 -9.317 0.959 1.00 0.00 O ATOM 45 CB PHE A 3 0.736 -8.361 -2.077 1.00 0.00 C ATOM 46 CG PHE A 3 0.005 -8.408 -3.384 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.418 -9.262 -4.392 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.081 -7.584 -3.608 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.246 -9.294 -5.602 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.749 -7.608 -4.816 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.330 -8.465 -5.815 1.00 0.00 C ATOM 0 H PHE A 3 -1.069 -8.052 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 3 0.050 -10.361 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.562 -7.390 -1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.806 -8.435 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.267 -9.909 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.411 -6.913 -2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.082 -9.966 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.596 -6.959 -4.979 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.849 -8.487 -6.762 1.00 0.00 H new ATOM 61 N GLY A 4 2.507 -10.455 -0.751 1.00 0.00 N ATOM 62 CA GLY A 4 3.715 -10.776 -0.018 1.00 0.00 C ATOM 63 C GLY A 4 4.785 -9.730 -0.245 1.00 0.00 C ATOM 64 O GLY A 4 4.760 -9.027 -1.255 1.00 0.00 O ATOM 0 H GLY A 4 2.478 -10.817 -1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.490 -10.846 1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.085 -11.753 -0.330 1.00 0.00 H new ATOM 68 N ARG A 5 5.720 -9.612 0.690 1.00 0.00 N ATOM 69 CA ARG A 5 6.789 -8.628 0.566 1.00 0.00 C ATOM 70 C ARG A 5 7.499 -8.771 -0.768 1.00 0.00 C ATOM 71 O ARG A 5 7.442 -7.870 -1.606 1.00 0.00 O ATOM 72 CB ARG A 5 7.787 -8.769 1.717 1.00 0.00 C ATOM 73 CG ARG A 5 7.160 -8.592 3.089 1.00 0.00 C ATOM 74 CD ARG A 5 6.918 -9.930 3.768 1.00 0.00 C ATOM 75 NE ARG A 5 6.184 -9.783 5.023 1.00 0.00 N ATOM 76 CZ ARG A 5 6.479 -10.455 6.132 1.00 0.00 C ATOM 77 NH1 ARG A 5 7.487 -11.317 6.143 1.00 0.00 N ATOM 78 NH2 ARG A 5 5.764 -10.264 7.233 1.00 0.00 N ATOM 0 H ARG A 5 5.760 -10.180 1.536 1.00 0.00 H new ATOM 0 HA ARG A 5 6.343 -7.635 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.254 -9.753 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.581 -8.032 1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.812 -7.979 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.216 -8.056 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.360 -10.582 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.874 -10.416 3.962 1.00 0.00 H new ATOM 0 HE ARG A 5 5.402 -9.129 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.039 -11.467 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.710 -11.830 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.988 -9.602 7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.990 -10.779 8.084 1.00 0.00 H new ATOM 92 N CYS A 6 8.164 -9.898 -0.972 1.00 0.00 N ATOM 93 CA CYS A 6 8.868 -10.125 -2.220 1.00 0.00 C ATOM 94 C CYS A 6 7.917 -10.626 -3.293 1.00 0.00 C ATOM 95 O CYS A 6 8.068 -10.280 -4.460 1.00 0.00 O ATOM 96 CB CYS A 6 10.011 -11.108 -2.037 1.00 0.00 C ATOM 97 SG CYS A 6 10.861 -10.976 -0.432 1.00 0.00 S ATOM 0 H CYS A 6 8.230 -10.660 -0.297 1.00 0.00 H new ATOM 0 HA CYS A 6 9.285 -9.170 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.625 -12.121 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.738 -10.954 -2.834 1.00 0.00 H new ATOM 102 N GLU A 7 6.932 -11.431 -2.898 1.00 0.00 N ATOM 103 CA GLU A 7 5.963 -11.942 -3.857 1.00 0.00 C ATOM 104 C GLU A 7 5.480 -10.790 -4.717 1.00 0.00 C ATOM 105 O GLU A 7 5.531 -10.843 -5.950 1.00 0.00 O ATOM 106 CB GLU A 7 4.785 -12.606 -3.141 1.00 0.00 C ATOM 107 CG GLU A 7 4.866 -14.123 -3.116 1.00 0.00 C ATOM 108 CD GLU A 7 4.499 -14.749 -4.447 1.00 0.00 C ATOM 109 OE1 GLU A 7 5.350 -14.738 -5.362 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.362 -15.250 -4.575 1.00 0.00 O ATOM 0 H GLU A 7 6.787 -11.738 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 7 6.436 -12.699 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.738 -12.236 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.858 -12.308 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.877 -14.425 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.200 -14.506 -2.343 1.00 0.00 H new ATOM 117 N LEU A 8 5.050 -9.727 -4.052 1.00 0.00 N ATOM 118 CA LEU A 8 4.601 -8.545 -4.746 1.00 0.00 C ATOM 119 C LEU A 8 5.756 -7.925 -5.514 1.00 0.00 C ATOM 120 O LEU A 8 5.582 -7.523 -6.657 1.00 0.00 O ATOM 121 CB LEU A 8 4.022 -7.506 -3.779 1.00 0.00 C ATOM 122 CG LEU A 8 4.083 -6.059 -4.288 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.723 -5.604 -4.791 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.592 -5.124 -3.201 1.00 0.00 C ATOM 0 H LEU A 8 5.005 -9.666 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 8 3.813 -8.848 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.983 -7.761 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.561 -7.568 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 8 4.783 -6.026 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.792 -4.576 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.403 -6.250 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.998 -5.660 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.627 -4.104 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.922 -5.166 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.592 -5.431 -2.896 1.00 0.00 H new ATOM 136 N ALA A 9 6.944 -7.857 -4.892 1.00 0.00 N ATOM 137 CA ALA A 9 8.105 -7.272 -5.555 1.00 0.00 C ATOM 138 C ALA A 9 8.371 -7.937 -6.896 1.00 0.00 C ATOM 139 O ALA A 9 8.468 -7.259 -7.916 1.00 0.00 O ATOM 140 CB ALA A 9 9.332 -7.354 -4.668 1.00 0.00 C ATOM 0 H ALA A 9 7.118 -8.196 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 9 7.883 -6.221 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.184 -6.912 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.148 -6.811 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.547 -8.398 -4.441 1.00 0.00 H new ATOM 146 N ALA A 10 8.474 -9.262 -6.897 1.00 0.00 N ATOM 147 CA ALA A 10 8.711 -9.999 -8.127 1.00 0.00 C ATOM 148 C ALA A 10 7.715 -9.554 -9.184 1.00 0.00 C ATOM 149 O ALA A 10 8.068 -9.354 -10.347 1.00 0.00 O ATOM 150 CB ALA A 10 8.602 -11.496 -7.884 1.00 0.00 C ATOM 0 H ALA A 10 8.397 -9.843 -6.062 1.00 0.00 H new ATOM 0 HA ALA A 10 9.721 -9.790 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.783 -12.030 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.342 -11.799 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.603 -11.733 -7.518 1.00 0.00 H new ATOM 156 N ALA A 11 6.465 -9.382 -8.762 1.00 0.00 N ATOM 157 CA ALA A 11 5.419 -8.939 -9.671 1.00 0.00 C ATOM 158 C ALA A 11 5.675 -7.518 -10.134 1.00 0.00 C ATOM 159 O ALA A 11 5.467 -7.176 -11.297 1.00 0.00 O ATOM 160 CB ALA A 11 4.050 -9.058 -9.016 1.00 0.00 C ATOM 0 H ALA A 11 6.156 -9.542 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 11 5.432 -9.587 -10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.283 -8.722 -9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.865 -10.098 -8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.021 -8.440 -8.119 1.00 0.00 H new ATOM 166 N MET A 12 6.132 -6.710 -9.207 1.00 0.00 N ATOM 167 CA MET A 12 6.439 -5.307 -9.479 1.00 0.00 C ATOM 168 C MET A 12 7.521 -5.194 -10.542 1.00 0.00 C ATOM 169 O MET A 12 7.372 -4.457 -11.516 1.00 0.00 O ATOM 170 CB MET A 12 6.904 -4.595 -8.209 1.00 0.00 C ATOM 171 CG MET A 12 6.044 -4.884 -6.992 1.00 0.00 C ATOM 172 SD MET A 12 4.785 -3.629 -6.708 1.00 0.00 S ATOM 173 CE MET A 12 5.782 -2.148 -6.766 1.00 0.00 C ATOM 0 H MET A 12 6.304 -6.996 -8.243 1.00 0.00 H new ATOM 0 HA MET A 12 5.527 -4.832 -9.839 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.931 -4.890 -7.994 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.912 -3.520 -8.389 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.562 -5.853 -7.117 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.682 -4.956 -6.111 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.169 -1.286 -6.502 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.607 -2.237 -6.059 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.179 -2.016 -7.772 1.00 0.00 H new ATOM 183 N LYS A 13 8.607 -5.939 -10.350 1.00 0.00 N ATOM 184 CA LYS A 13 9.710 -5.932 -11.298 1.00 0.00 C ATOM 185 C LYS A 13 9.176 -6.222 -12.687 1.00 0.00 C ATOM 186 O LYS A 13 9.551 -5.570 -13.663 1.00 0.00 O ATOM 187 CB LYS A 13 10.763 -6.972 -10.908 1.00 0.00 C ATOM 188 CG LYS A 13 12.190 -6.516 -11.161 1.00 0.00 C ATOM 189 CD LYS A 13 12.677 -6.943 -12.536 1.00 0.00 C ATOM 190 CE LYS A 13 13.420 -8.269 -12.475 1.00 0.00 C ATOM 191 NZ LYS A 13 13.344 -9.007 -13.767 1.00 0.00 N ATOM 0 H LYS A 13 8.743 -6.553 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 13 10.184 -4.950 -11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.649 -7.213 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.579 -7.890 -11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.247 -5.431 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.847 -6.931 -10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.828 -7.031 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.333 -6.175 -12.946 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.464 -8.089 -12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.000 -8.885 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.862 -9.905 -13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.349 -9.201 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.768 -8.430 -14.522 1.00 0.00 H new ATOM 205 N ARG A 14 8.279 -7.198 -12.762 1.00 0.00 N ATOM 206 CA ARG A 14 7.669 -7.572 -14.023 1.00 0.00 C ATOM 207 C ARG A 14 6.814 -6.424 -14.532 1.00 0.00 C ATOM 208 O ARG A 14 6.750 -6.169 -15.735 1.00 0.00 O ATOM 209 CB ARG A 14 6.816 -8.831 -13.855 1.00 0.00 C ATOM 210 CG ARG A 14 7.398 -10.056 -14.543 1.00 0.00 C ATOM 211 CD ARG A 14 6.322 -10.854 -15.260 1.00 0.00 C ATOM 212 NE ARG A 14 6.890 -11.802 -16.216 1.00 0.00 N ATOM 213 CZ ARG A 14 6.970 -13.111 -15.998 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.521 -13.627 -14.863 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.502 -13.906 -16.917 1.00 0.00 N ATOM 0 H ARG A 14 7.960 -7.743 -11.961 1.00 0.00 H new ATOM 0 HA ARG A 14 8.455 -7.786 -14.747 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.700 -9.042 -12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.819 -8.640 -14.253 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.160 -9.746 -15.258 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.892 -10.689 -13.806 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.722 -11.393 -14.527 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.651 -10.171 -15.781 1.00 0.00 H new ATOM 0 HE ARG A 14 7.245 -11.439 -17.101 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.112 -13.019 -14.153 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.584 -14.632 -14.699 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.850 -13.513 -17.792 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.563 -14.910 -16.749 1.00 0.00 H new ATOM 229 N HIS A 15 6.131 -5.750 -13.609 1.00 0.00 N ATOM 230 CA HIS A 15 5.250 -4.648 -13.957 1.00 0.00 C ATOM 231 C HIS A 15 6.026 -3.382 -14.287 1.00 0.00 C ATOM 232 O HIS A 15 5.445 -2.413 -14.777 1.00 0.00 O ATOM 233 CB HIS A 15 4.300 -4.362 -12.797 1.00 0.00 C ATOM 234 CG HIS A 15 3.235 -5.397 -12.606 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.256 -5.292 -11.644 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.997 -6.562 -13.257 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.463 -6.343 -11.707 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.889 -7.130 -12.678 1.00 0.00 N ATOM 0 H HIS A 15 6.174 -5.953 -12.610 1.00 0.00 H new ATOM 0 HA HIS A 15 4.690 -4.944 -14.844 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.881 -4.281 -11.878 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.825 -3.395 -12.961 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.571 -6.967 -14.077 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.609 -6.529 -11.072 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.464 -8.016 -12.953 1.00 0.00 H new ATOM 247 N GLY A 16 7.341 -3.388 -14.072 1.00 0.00 N ATOM 248 CA GLY A 16 8.141 -2.231 -14.416 1.00 0.00 C ATOM 249 C GLY A 16 8.159 -1.124 -13.379 1.00 0.00 C ATOM 250 O GLY A 16 8.438 0.021 -13.728 1.00 0.00 O ATOM 0 H GLY A 16 7.860 -4.168 -13.669 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.166 -2.558 -14.592 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.771 -1.820 -15.356 1.00 0.00 H new ATOM 254 N LEU A 17 7.874 -1.420 -12.107 1.00 0.00 N ATOM 255 CA LEU A 17 7.894 -0.361 -11.108 1.00 0.00 C ATOM 256 C LEU A 17 9.318 -0.071 -10.677 1.00 0.00 C ATOM 257 O LEU A 17 9.593 0.912 -9.993 1.00 0.00 O ATOM 258 CB LEU A 17 7.024 -0.703 -9.893 1.00 0.00 C ATOM 259 CG LEU A 17 5.687 -1.403 -10.181 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.594 -0.847 -9.284 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.265 -1.263 -11.639 1.00 0.00 C ATOM 0 H LEU A 17 7.636 -2.349 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 17 7.472 0.533 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.605 -1.339 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.816 0.220 -9.352 1.00 0.00 H new ATOM 0 HG LEU A 17 5.833 -2.463 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.653 -1.353 -9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.862 -1.010 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.482 0.222 -9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.315 -1.774 -11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.154 -0.207 -11.886 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.025 -1.708 -12.282 1.00 0.00 H new ATOM 273 N ASP A 18 10.220 -0.925 -11.111 1.00 0.00 N ATOM 274 CA ASP A 18 11.636 -0.765 -10.804 1.00 0.00 C ATOM 275 C ASP A 18 12.222 0.340 -11.674 1.00 0.00 C ATOM 276 O ASP A 18 12.682 0.086 -12.787 1.00 0.00 O ATOM 277 CB ASP A 18 12.389 -2.079 -11.026 1.00 0.00 C ATOM 278 CG ASP A 18 13.894 -1.888 -11.057 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.441 -1.329 -10.084 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.524 -2.299 -12.054 1.00 0.00 O ATOM 0 H ASP A 18 10.002 -1.743 -11.681 1.00 0.00 H new ATOM 0 HA ASP A 18 11.743 -0.490 -9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.131 -2.780 -10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.063 -2.527 -11.965 1.00 0.00 H new ATOM 285 N ASN A 19 12.152 1.570 -11.162 1.00 0.00 N ATOM 286 CA ASN A 19 12.626 2.758 -11.877 1.00 0.00 C ATOM 287 C ASN A 19 11.528 3.273 -12.803 1.00 0.00 C ATOM 288 O ASN A 19 11.790 3.697 -13.929 1.00 0.00 O ATOM 289 CB ASN A 19 13.905 2.467 -12.672 1.00 0.00 C ATOM 290 CG ASN A 19 14.916 3.593 -12.572 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.231 4.066 -11.481 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.431 4.027 -13.717 1.00 0.00 N ATOM 0 H ASN A 19 11.765 1.771 -10.240 1.00 0.00 H new ATOM 0 HA ASN A 19 12.868 3.524 -11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.355 1.544 -12.306 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.650 2.303 -13.719 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.117 4.782 -13.714 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.141 3.605 -14.599 1.00 0.00 H new ATOM 299 N TYR A 20 10.291 3.220 -12.308 1.00 0.00 N ATOM 300 CA TYR A 20 9.131 3.666 -13.079 1.00 0.00 C ATOM 301 C TYR A 20 8.885 5.148 -12.859 1.00 0.00 C ATOM 302 O TYR A 20 8.752 5.600 -11.722 1.00 0.00 O ATOM 303 CB TYR A 20 7.885 2.866 -12.702 1.00 0.00 C ATOM 304 CG TYR A 20 6.757 3.012 -13.698 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.704 2.216 -14.836 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.751 3.949 -13.506 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.678 2.349 -15.752 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.722 4.088 -14.417 1.00 0.00 C ATOM 309 CZ TYR A 20 4.690 3.286 -15.539 1.00 0.00 C ATOM 310 OH TYR A 20 3.668 3.422 -16.449 1.00 0.00 O ATOM 0 H TYR A 20 10.067 2.872 -11.376 1.00 0.00 H new ATOM 0 HA TYR A 20 9.343 3.496 -14.135 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.150 1.812 -12.616 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.538 3.188 -11.720 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.477 1.482 -15.007 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.773 4.580 -12.630 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.650 1.722 -16.631 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.946 4.821 -14.252 1.00 0.00 H new ATOM 0 HH TYR A 20 3.910 2.969 -17.283 1.00 0.00 H new ATOM 320 N ARG A 21 8.855 5.909 -13.949 1.00 0.00 N ATOM 321 CA ARG A 21 8.665 7.349 -13.857 1.00 0.00 C ATOM 322 C ARG A 21 9.794 7.931 -13.021 1.00 0.00 C ATOM 323 O ARG A 21 9.725 9.059 -12.533 1.00 0.00 O ATOM 324 CB ARG A 21 7.306 7.691 -13.247 1.00 0.00 C ATOM 325 CG ARG A 21 6.647 8.907 -13.879 1.00 0.00 C ATOM 326 CD ARG A 21 6.492 8.744 -15.384 1.00 0.00 C ATOM 327 NE ARG A 21 6.515 10.029 -16.078 1.00 0.00 N ATOM 328 CZ ARG A 21 7.615 10.568 -16.596 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.776 9.936 -16.501 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.553 11.742 -17.210 1.00 0.00 N ATOM 0 H ARG A 21 8.959 5.554 -14.899 1.00 0.00 H new ATOM 0 HA ARG A 21 8.683 7.781 -14.857 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.643 6.832 -13.352 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.430 7.869 -12.179 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.668 9.066 -13.427 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.243 9.795 -13.669 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.294 8.112 -15.765 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.554 8.233 -15.599 1.00 0.00 H new ATOM 0 HE ARG A 21 5.638 10.542 -16.171 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.828 9.033 -16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.617 10.353 -16.900 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.661 12.232 -17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.397 12.155 -17.607 1.00 0.00 H new ATOM 344 N GLY A 22 10.841 7.125 -12.886 1.00 0.00 N ATOM 345 CA GLY A 22 12.008 7.522 -12.137 1.00 0.00 C ATOM 346 C GLY A 22 12.041 6.982 -10.718 1.00 0.00 C ATOM 347 O GLY A 22 12.937 7.338 -9.953 1.00 0.00 O ATOM 0 H GLY A 22 10.897 6.190 -13.291 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.899 7.183 -12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.053 8.611 -12.102 1.00 0.00 H new ATOM 351 N TYR A 23 11.083 6.126 -10.339 1.00 0.00 N ATOM 352 CA TYR A 23 11.089 5.594 -8.987 1.00 0.00 C ATOM 353 C TYR A 23 11.452 4.117 -8.956 1.00 0.00 C ATOM 354 O TYR A 23 10.846 3.299 -9.641 1.00 0.00 O ATOM 355 CB TYR A 23 9.750 5.850 -8.303 1.00 0.00 C ATOM 356 CG TYR A 23 9.702 7.199 -7.619 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.590 7.508 -6.594 1.00 0.00 C ATOM 358 CD2 TYR A 23 8.782 8.164 -8.003 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.559 8.740 -5.971 1.00 0.00 C ATOM 360 CE2 TYR A 23 8.746 9.399 -7.383 1.00 0.00 C ATOM 361 CZ TYR A 23 9.635 9.682 -6.369 1.00 0.00 C ATOM 362 OH TYR A 23 9.601 10.911 -5.751 1.00 0.00 O ATOM 0 H TYR A 23 10.321 5.800 -10.933 1.00 0.00 H new ATOM 0 HA TYR A 23 11.864 6.121 -8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.950 5.791 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.564 5.066 -7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.316 6.772 -6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.084 7.947 -8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.255 8.964 -5.176 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.023 10.140 -7.692 1.00 0.00 H new ATOM 0 HH TYR A 23 8.868 10.930 -5.101 1.00 0.00 H new ATOM 372 N SER A 24 12.463 3.796 -8.153 1.00 0.00 N ATOM 373 CA SER A 24 12.940 2.430 -8.016 1.00 0.00 C ATOM 374 C SER A 24 11.968 1.591 -7.200 1.00 0.00 C ATOM 375 O SER A 24 11.156 2.119 -6.440 1.00 0.00 O ATOM 376 CB SER A 24 14.321 2.413 -7.360 1.00 0.00 C ATOM 377 OG SER A 24 14.275 2.965 -6.057 1.00 0.00 O ATOM 0 H SER A 24 12.970 4.474 -7.584 1.00 0.00 H new ATOM 0 HA SER A 24 13.013 1.998 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.691 1.389 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.024 2.977 -7.972 1.00 0.00 H new ATOM 0 HG SER A 24 15.170 2.941 -5.660 1.00 0.00 H new ATOM 383 N LEU A 25 12.069 0.282 -7.374 1.00 0.00 N ATOM 384 CA LEU A 25 11.217 -0.677 -6.680 1.00 0.00 C ATOM 385 C LEU A 25 11.012 -0.316 -5.208 1.00 0.00 C ATOM 386 O LEU A 25 9.878 -0.217 -4.741 1.00 0.00 O ATOM 387 CB LEU A 25 11.831 -2.072 -6.791 1.00 0.00 C ATOM 388 CG LEU A 25 11.179 -2.983 -7.826 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.109 -4.131 -8.187 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.855 -3.512 -7.303 1.00 0.00 C ATOM 0 H LEU A 25 12.747 -0.149 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 25 10.237 -0.655 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.888 -1.969 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.774 -2.556 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 25 10.987 -2.402 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.627 -4.771 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.036 -3.732 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.332 -4.714 -7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.401 -4.161 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.026 -4.079 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.187 -2.677 -7.093 1.00 0.00 H new ATOM 402 N GLY A 26 12.113 -0.150 -4.479 1.00 0.00 N ATOM 403 CA GLY A 26 12.041 0.169 -3.060 1.00 0.00 C ATOM 404 C GLY A 26 11.018 1.239 -2.716 1.00 0.00 C ATOM 405 O GLY A 26 10.330 1.137 -1.701 1.00 0.00 O ATOM 0 H GLY A 26 13.061 -0.231 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.802 -0.739 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.024 0.499 -2.722 1.00 0.00 H new ATOM 409 N ASN A 27 10.922 2.270 -3.548 1.00 0.00 N ATOM 410 CA ASN A 27 9.980 3.361 -3.305 1.00 0.00 C ATOM 411 C ASN A 27 8.533 2.881 -3.397 1.00 0.00 C ATOM 412 O ASN A 27 7.653 3.392 -2.704 1.00 0.00 O ATOM 413 CB ASN A 27 10.215 4.495 -4.304 1.00 0.00 C ATOM 414 CG ASN A 27 11.623 5.052 -4.226 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.042 5.570 -3.191 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.362 4.949 -5.325 1.00 0.00 N ATOM 0 H ASN A 27 11.482 2.375 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 27 10.152 3.728 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.027 4.131 -5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.500 5.296 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.317 5.307 -5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.974 4.512 -6.161 1.00 0.00 H new ATOM 423 N TRP A 28 8.301 1.901 -4.260 1.00 0.00 N ATOM 424 CA TRP A 28 6.968 1.346 -4.461 1.00 0.00 C ATOM 425 C TRP A 28 6.579 0.396 -3.340 1.00 0.00 C ATOM 426 O TRP A 28 5.410 0.327 -2.961 1.00 0.00 O ATOM 427 CB TRP A 28 6.904 0.644 -5.809 1.00 0.00 C ATOM 428 CG TRP A 28 7.289 1.558 -6.919 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.525 1.701 -7.461 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.439 2.482 -7.597 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.503 2.666 -8.433 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.233 3.161 -8.541 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.083 2.797 -7.496 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.721 4.143 -9.382 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.562 3.767 -8.326 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.380 4.436 -9.262 1.00 0.00 C ATOM 0 H TRP A 28 9.024 1.471 -4.836 1.00 0.00 H new ATOM 0 HA TRP A 28 6.251 2.167 -4.448 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.567 -0.221 -5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.894 0.270 -5.978 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.398 1.137 -7.169 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.305 2.967 -8.987 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.453 2.290 -6.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.347 4.654 -10.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.514 4.018 -8.259 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.946 5.194 -9.897 1.00 0.00 H new ATOM 447 N VAL A 29 7.550 -0.335 -2.803 1.00 0.00 N ATOM 448 CA VAL A 29 7.275 -1.268 -1.724 1.00 0.00 C ATOM 449 C VAL A 29 6.968 -0.527 -0.434 1.00 0.00 C ATOM 450 O VAL A 29 5.974 -0.811 0.232 1.00 0.00 O ATOM 451 CB VAL A 29 8.465 -2.222 -1.495 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.208 -3.135 -0.304 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.745 -3.033 -2.750 1.00 0.00 C ATOM 0 H VAL A 29 8.526 -0.298 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 29 6.404 -1.855 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 29 9.347 -1.622 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.061 -3.798 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.065 -2.532 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.313 -3.729 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.588 -3.701 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.864 -3.621 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.984 -2.359 -3.573 1.00 0.00 H new ATOM 463 N CYS A 30 7.827 0.420 -0.081 1.00 0.00 N ATOM 464 CA CYS A 30 7.640 1.197 1.134 1.00 0.00 C ATOM 465 C CYS A 30 6.319 1.958 1.099 1.00 0.00 C ATOM 466 O CYS A 30 5.567 1.955 2.075 1.00 0.00 O ATOM 467 CB CYS A 30 8.801 2.173 1.326 1.00 0.00 C ATOM 468 SG CYS A 30 8.911 2.866 3.005 1.00 0.00 S ATOM 0 H CYS A 30 8.658 0.667 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 30 7.615 0.505 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.735 1.662 1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.698 2.990 0.612 1.00 0.00 H new ATOM 473 N ALA A 31 6.037 2.612 -0.026 1.00 0.00 N ATOM 474 CA ALA A 31 4.808 3.378 -0.175 1.00 0.00 C ATOM 475 C ALA A 31 3.582 2.484 -0.047 1.00 0.00 C ATOM 476 O ALA A 31 2.629 2.822 0.652 1.00 0.00 O ATOM 477 CB ALA A 31 4.794 4.097 -1.515 1.00 0.00 C ATOM 0 H ALA A 31 6.644 2.625 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 31 4.774 4.116 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.869 4.666 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.645 4.775 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.857 3.366 -2.321 1.00 0.00 H new ATOM 483 N ALA A 32 3.614 1.344 -0.729 1.00 0.00 N ATOM 484 CA ALA A 32 2.503 0.403 -0.696 1.00 0.00 C ATOM 485 C ALA A 32 2.337 -0.221 0.686 1.00 0.00 C ATOM 486 O ALA A 32 1.220 -0.367 1.177 1.00 0.00 O ATOM 487 CB ALA A 32 2.703 -0.679 -1.747 1.00 0.00 C ATOM 0 H ALA A 32 4.398 1.050 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 32 1.590 0.954 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.867 -1.377 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.755 -0.221 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.631 -1.214 -1.546 1.00 0.00 H new ATOM 493 N LYS A 33 3.453 -0.602 1.302 1.00 0.00 N ATOM 494 CA LYS A 33 3.435 -1.225 2.622 1.00 0.00 C ATOM 495 C LYS A 33 2.628 -0.407 3.622 1.00 0.00 C ATOM 496 O LYS A 33 1.708 -0.915 4.252 1.00 0.00 O ATOM 497 CB LYS A 33 4.862 -1.404 3.139 1.00 0.00 C ATOM 498 CG LYS A 33 4.954 -2.278 4.380 1.00 0.00 C ATOM 499 CD LYS A 33 5.955 -1.723 5.379 1.00 0.00 C ATOM 500 CE LYS A 33 7.314 -2.389 5.234 1.00 0.00 C ATOM 501 NZ LYS A 33 7.930 -2.113 3.907 1.00 0.00 N ATOM 0 H LYS A 33 4.386 -0.489 0.905 1.00 0.00 H new ATOM 0 HA LYS A 33 2.956 -2.199 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.473 -1.842 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.284 -0.424 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.973 -2.351 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.246 -3.288 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.058 -0.648 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.581 -1.873 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.978 -2.035 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.207 -3.465 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.957 -1.995 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.741 -2.908 3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.523 -1.242 3.510 1.00 0.00 H new ATOM 515 N PHE A 34 2.992 0.853 3.792 1.00 0.00 N ATOM 516 CA PHE A 34 2.298 1.704 4.745 1.00 0.00 C ATOM 517 C PHE A 34 0.940 2.152 4.231 1.00 0.00 C ATOM 518 O PHE A 34 0.022 2.395 5.014 1.00 0.00 O ATOM 519 CB PHE A 34 3.150 2.901 5.114 1.00 0.00 C ATOM 520 CG PHE A 34 4.021 2.670 6.316 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.526 2.870 7.595 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.333 2.253 6.167 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.324 2.658 8.703 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.137 2.039 7.271 1.00 0.00 C ATOM 525 CZ PHE A 34 5.632 2.241 8.540 1.00 0.00 C ATOM 0 H PHE A 34 3.755 1.306 3.289 1.00 0.00 H new ATOM 0 HA PHE A 34 2.124 1.107 5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.780 3.164 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.500 3.755 5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.505 3.195 7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.733 2.093 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.927 2.818 9.694 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.159 1.714 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.258 2.073 9.404 1.00 0.00 H new ATOM 535 N GLU A 35 0.813 2.268 2.919 1.00 0.00 N ATOM 536 CA GLU A 35 -0.437 2.695 2.313 1.00 0.00 C ATOM 537 C GLU A 35 -1.570 1.715 2.601 1.00 0.00 C ATOM 538 O GLU A 35 -2.636 2.105 3.076 1.00 0.00 O ATOM 539 CB GLU A 35 -0.255 2.823 0.801 1.00 0.00 C ATOM 540 CG GLU A 35 -0.091 4.254 0.321 1.00 0.00 C ATOM 541 CD GLU A 35 0.556 4.333 -1.047 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.124 4.016 -2.045 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.744 4.713 -1.122 1.00 0.00 O ATOM 0 H GLU A 35 1.561 2.072 2.253 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.704 3.659 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.620 2.246 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.117 2.379 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.067 4.737 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.514 4.808 1.039 1.00 0.00 H new ATOM 550 N SER A 36 -1.348 0.454 2.253 1.00 0.00 N ATOM 551 CA SER A 36 -2.378 -0.571 2.416 1.00 0.00 C ATOM 552 C SER A 36 -1.844 -1.856 3.040 1.00 0.00 C ATOM 553 O SER A 36 -2.581 -2.834 3.163 1.00 0.00 O ATOM 554 CB SER A 36 -2.978 -0.896 1.045 1.00 0.00 C ATOM 555 OG SER A 36 -1.972 -1.325 0.145 1.00 0.00 O ATOM 0 H SER A 36 -0.471 0.115 1.858 1.00 0.00 H new ATOM 0 HA SER A 36 -3.131 -0.169 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.735 -1.674 1.149 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.479 -0.015 0.644 1.00 0.00 H new ATOM 0 HG SER A 36 -1.672 -0.565 -0.397 1.00 0.00 H new ATOM 561 N ASN A 37 -0.571 -1.868 3.411 1.00 0.00 N ATOM 562 CA ASN A 37 0.030 -3.065 3.993 1.00 0.00 C ATOM 563 C ASN A 37 -0.039 -4.207 2.989 1.00 0.00 C ATOM 564 O ASN A 37 -0.081 -5.374 3.361 1.00 0.00 O ATOM 565 CB ASN A 37 -0.683 -3.454 5.291 1.00 0.00 C ATOM 566 CG ASN A 37 -0.436 -2.457 6.407 1.00 0.00 C ATOM 567 OD1 ASN A 37 -1.371 -1.855 6.935 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.829 -2.277 6.771 1.00 0.00 N ATOM 0 H ASN A 37 0.062 -1.073 3.322 1.00 0.00 H new ATOM 0 HA ASN A 37 1.073 -2.856 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.754 -3.529 5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.344 -4.441 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.057 -1.618 7.516 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.573 -2.798 6.306 1.00 0.00 H new ATOM 575 N PHE A 38 -0.046 -3.831 1.712 1.00 0.00 N ATOM 576 CA PHE A 38 -0.107 -4.756 0.591 1.00 0.00 C ATOM 577 C PHE A 38 -1.451 -5.463 0.531 1.00 0.00 C ATOM 578 O PHE A 38 -1.583 -6.509 -0.094 1.00 0.00 O ATOM 579 CB PHE A 38 1.051 -5.757 0.638 1.00 0.00 C ATOM 580 CG PHE A 38 2.393 -5.085 0.709 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.774 -4.177 -0.267 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.267 -5.351 1.751 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.001 -3.547 -0.206 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.496 -4.723 1.816 1.00 0.00 C ATOM 585 CZ PHE A 38 4.864 -3.821 0.836 1.00 0.00 C ATOM 0 H PHE A 38 -0.009 -2.853 1.425 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.003 -4.175 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.929 -6.408 1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.013 -6.392 -0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.103 -3.960 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.985 -6.056 2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.285 -2.841 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.169 -4.937 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.825 -3.331 0.885 1.00 0.00 H new ATOM 595 N ASN A 39 -2.463 -4.863 1.149 1.00 0.00 N ATOM 596 CA ASN A 39 -3.801 -5.434 1.125 1.00 0.00 C ATOM 597 C ASN A 39 -4.466 -5.098 -0.199 1.00 0.00 C ATOM 598 O ASN A 39 -4.707 -3.932 -0.511 1.00 0.00 O ATOM 599 CB ASN A 39 -4.633 -4.920 2.299 1.00 0.00 C ATOM 600 CG ASN A 39 -6.012 -5.547 2.353 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.285 -6.536 1.672 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.892 -4.974 3.167 1.00 0.00 N ATOM 0 H ASN A 39 -2.382 -3.989 1.668 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.730 -6.517 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.107 -5.127 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.733 -3.837 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.836 -5.353 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.624 -4.156 3.713 1.00 0.00 H new ATOM 609 N THR A 40 -4.715 -6.128 -0.990 1.00 0.00 N ATOM 610 CA THR A 40 -5.299 -5.960 -2.308 1.00 0.00 C ATOM 611 C THR A 40 -6.707 -5.416 -2.196 1.00 0.00 C ATOM 612 O THR A 40 -7.300 -4.974 -3.179 1.00 0.00 O ATOM 613 CB THR A 40 -5.334 -7.297 -3.073 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.583 -7.961 -2.850 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.201 -8.209 -2.630 1.00 0.00 C ATOM 0 H THR A 40 -4.519 -7.097 -0.738 1.00 0.00 H new ATOM 0 HA THR A 40 -4.676 -5.254 -2.857 1.00 0.00 H new ATOM 0 HB THR A 40 -5.217 -7.077 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.244 -7.641 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.249 -9.145 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.245 -7.722 -2.823 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.295 -8.415 -1.564 1.00 0.00 H new ATOM 623 N GLN A 41 -7.244 -5.489 -0.992 1.00 0.00 N ATOM 624 CA GLN A 41 -8.593 -5.046 -0.724 1.00 0.00 C ATOM 625 C GLN A 41 -8.643 -3.877 0.262 1.00 0.00 C ATOM 626 O GLN A 41 -9.724 -3.445 0.662 1.00 0.00 O ATOM 627 CB GLN A 41 -9.373 -6.232 -0.173 1.00 0.00 C ATOM 628 CG GLN A 41 -10.113 -7.029 -1.233 1.00 0.00 C ATOM 629 CD GLN A 41 -11.615 -6.829 -1.170 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.221 -6.925 -0.104 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.224 -6.551 -2.317 1.00 0.00 N ATOM 0 H GLN A 41 -6.755 -5.857 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.033 -4.682 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.685 -6.895 0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.091 -5.871 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.752 -6.737 -2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.886 -8.088 -1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.682 -6.481 -3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.234 -6.408 -2.337 1.00 0.00 H new ATOM 640 N ALA A 42 -7.477 -3.382 0.669 1.00 0.00 N ATOM 641 CA ALA A 42 -7.407 -2.280 1.628 1.00 0.00 C ATOM 642 C ALA A 42 -8.057 -1.004 1.108 1.00 0.00 C ATOM 643 O ALA A 42 -7.724 -0.508 0.027 1.00 0.00 O ATOM 644 CB ALA A 42 -5.964 -1.997 2.004 1.00 0.00 C ATOM 0 H ALA A 42 -6.570 -3.724 0.352 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.966 -2.598 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.929 -1.174 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.524 -2.887 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.402 -1.726 1.110 1.00 0.00 H new ATOM 650 N THR A 43 -8.972 -0.467 1.910 1.00 0.00 N ATOM 651 CA THR A 43 -9.674 0.767 1.583 1.00 0.00 C ATOM 652 C THR A 43 -9.460 1.793 2.696 1.00 0.00 C ATOM 653 O THR A 43 -9.601 1.468 3.875 1.00 0.00 O ATOM 654 CB THR A 43 -11.186 0.524 1.413 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.851 0.658 2.674 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.454 -0.861 0.841 1.00 0.00 C ATOM 0 H THR A 43 -9.246 -0.876 2.803 1.00 0.00 H new ATOM 0 HA THR A 43 -9.272 1.140 0.641 1.00 0.00 H new ATOM 0 HB THR A 43 -11.572 1.269 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.192 0.615 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.528 -1.007 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.974 -0.951 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.052 -1.617 1.515 1.00 0.00 H new ATOM 664 N ASN A 44 -9.114 3.024 2.331 1.00 0.00 N ATOM 665 CA ASN A 44 -8.880 4.071 3.325 1.00 0.00 C ATOM 666 C ASN A 44 -9.744 5.297 3.047 1.00 0.00 C ATOM 667 O ASN A 44 -9.490 6.047 2.104 1.00 0.00 O ATOM 668 CB ASN A 44 -7.403 4.468 3.341 1.00 0.00 C ATOM 669 CG ASN A 44 -7.065 5.394 4.493 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.604 6.517 4.286 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.295 4.927 5.714 1.00 0.00 N ATOM 0 H ASN A 44 -8.990 3.321 1.363 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.154 3.672 4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.789 3.570 3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.151 4.957 2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.089 5.505 6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.678 3.990 5.838 1.00 0.00 H new ATOM 678 N ARG A 45 -10.771 5.491 3.871 1.00 0.00 N ATOM 679 CA ARG A 45 -11.681 6.621 3.711 1.00 0.00 C ATOM 680 C ARG A 45 -11.052 7.923 4.206 1.00 0.00 C ATOM 681 O ARG A 45 -10.718 8.058 5.383 1.00 0.00 O ATOM 682 CB ARG A 45 -12.989 6.358 4.462 1.00 0.00 C ATOM 683 CG ARG A 45 -12.787 5.827 5.872 1.00 0.00 C ATOM 684 CD ARG A 45 -14.110 5.440 6.514 1.00 0.00 C ATOM 685 NE ARG A 45 -15.041 6.564 6.568 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.357 6.425 6.709 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.892 5.215 6.809 1.00 0.00 N ATOM 688 NH2 ARG A 45 -17.137 7.497 6.748 1.00 0.00 N ATOM 0 H ARG A 45 -10.993 4.880 4.657 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.889 6.729 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.562 7.284 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.585 5.643 3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.127 4.960 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.293 6.585 6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.561 4.623 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.929 5.070 7.523 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.662 7.508 6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.294 4.389 6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.901 5.111 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.728 8.428 6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.146 7.390 6.856 1.00 0.00 H new ATOM 702 N ASN A 46 -10.904 8.879 3.293 1.00 0.00 N ATOM 703 CA ASN A 46 -10.325 10.179 3.621 1.00 0.00 C ATOM 704 C ASN A 46 -11.412 11.164 4.037 1.00 0.00 C ATOM 705 O ASN A 46 -12.596 10.827 4.062 1.00 0.00 O ATOM 706 CB ASN A 46 -9.551 10.732 2.425 1.00 0.00 C ATOM 707 CG ASN A 46 -8.721 9.669 1.730 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.887 9.417 0.537 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.823 9.038 2.477 1.00 0.00 N ATOM 0 H ASN A 46 -11.178 8.777 2.316 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.639 10.045 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.252 11.166 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.898 11.538 2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.237 8.312 2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.719 9.279 3.463 1.00 0.00 H new ATOM 716 N THR A 47 -10.998 12.381 4.370 1.00 0.00 N ATOM 717 CA THR A 47 -11.933 13.418 4.796 1.00 0.00 C ATOM 718 C THR A 47 -12.164 14.458 3.701 1.00 0.00 C ATOM 719 O THR A 47 -13.161 15.182 3.726 1.00 0.00 O ATOM 720 CB THR A 47 -11.432 14.134 6.064 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.106 14.633 5.856 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.444 13.192 7.258 1.00 0.00 C ATOM 0 H THR A 47 -10.021 12.675 4.354 1.00 0.00 H new ATOM 0 HA THR A 47 -12.876 12.914 5.010 1.00 0.00 H new ATOM 0 HB THR A 47 -12.103 14.967 6.272 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.797 15.088 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.086 13.720 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.460 12.839 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.794 12.341 7.056 1.00 0.00 H new ATOM 730 N ASP A 48 -11.243 14.534 2.745 1.00 0.00 N ATOM 731 CA ASP A 48 -11.358 15.495 1.650 1.00 0.00 C ATOM 732 C ASP A 48 -12.444 15.077 0.661 1.00 0.00 C ATOM 733 O ASP A 48 -12.773 15.819 -0.265 1.00 0.00 O ATOM 734 CB ASP A 48 -10.018 15.642 0.927 1.00 0.00 C ATOM 735 CG ASP A 48 -9.650 14.407 0.127 1.00 0.00 C ATOM 736 OD1 ASP A 48 -9.374 13.359 0.747 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.640 14.491 -1.119 1.00 0.00 O ATOM 0 H ASP A 48 -10.411 13.945 2.705 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.639 16.458 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.061 16.503 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.235 15.844 1.658 1.00 0.00 H new ATOM 742 N GLY A 49 -12.997 13.887 0.868 1.00 0.00 N ATOM 743 CA GLY A 49 -14.042 13.390 -0.010 1.00 0.00 C ATOM 744 C GLY A 49 -13.535 12.348 -0.988 1.00 0.00 C ATOM 745 O GLY A 49 -13.906 12.353 -2.161 1.00 0.00 O ATOM 0 H GLY A 49 -12.741 13.257 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.843 12.959 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.473 14.224 -0.564 1.00 0.00 H new ATOM 749 N SER A 50 -12.686 11.453 -0.498 1.00 0.00 N ATOM 750 CA SER A 50 -12.125 10.397 -1.332 1.00 0.00 C ATOM 751 C SER A 50 -11.740 9.186 -0.493 1.00 0.00 C ATOM 752 O SER A 50 -11.863 9.201 0.730 1.00 0.00 O ATOM 753 CB SER A 50 -10.904 10.908 -2.098 1.00 0.00 C ATOM 754 OG SER A 50 -10.217 11.902 -1.360 1.00 0.00 O ATOM 0 H SER A 50 -12.371 11.437 0.472 1.00 0.00 H new ATOM 0 HA SER A 50 -12.891 10.095 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.230 10.078 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.218 11.316 -3.058 1.00 0.00 H new ATOM 0 HG SER A 50 -10.386 12.781 -1.759 1.00 0.00 H new ATOM 760 N THR A 51 -11.282 8.136 -1.164 1.00 0.00 N ATOM 761 CA THR A 51 -10.883 6.909 -0.488 1.00 0.00 C ATOM 762 C THR A 51 -9.656 6.291 -1.148 1.00 0.00 C ATOM 763 O THR A 51 -9.207 6.752 -2.195 1.00 0.00 O ATOM 764 CB THR A 51 -12.029 5.881 -0.490 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.293 6.556 -0.491 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.943 4.962 0.718 1.00 0.00 C ATOM 0 H THR A 51 -11.178 8.110 -2.178 1.00 0.00 H new ATOM 0 HA THR A 51 -10.639 7.173 0.541 1.00 0.00 H new ATOM 0 HB THR A 51 -11.937 5.275 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.012 5.903 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.765 4.247 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.994 4.426 0.700 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.008 5.554 1.631 1.00 0.00 H new ATOM 774 N ASP A 52 -9.117 5.248 -0.526 1.00 0.00 N ATOM 775 CA ASP A 52 -7.940 4.563 -1.051 1.00 0.00 C ATOM 776 C ASP A 52 -8.225 3.087 -1.254 1.00 0.00 C ATOM 777 O ASP A 52 -7.913 2.259 -0.398 1.00 0.00 O ATOM 778 CB ASP A 52 -6.753 4.745 -0.103 1.00 0.00 C ATOM 779 CG ASP A 52 -6.400 6.204 0.106 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.273 6.934 -0.899 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.250 6.617 1.275 1.00 0.00 O ATOM 0 H ASP A 52 -9.477 4.857 0.345 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.690 5.002 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.986 4.289 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.887 4.218 -0.504 1.00 0.00 H new ATOM 786 N TYR A 53 -8.817 2.762 -2.396 1.00 0.00 N ATOM 787 CA TYR A 53 -9.140 1.383 -2.711 1.00 0.00 C ATOM 788 C TYR A 53 -8.055 0.751 -3.572 1.00 0.00 C ATOM 789 O TYR A 53 -8.181 0.699 -4.793 1.00 0.00 O ATOM 790 CB TYR A 53 -10.475 1.282 -3.455 1.00 0.00 C ATOM 791 CG TYR A 53 -11.641 1.962 -2.773 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.192 1.441 -1.612 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.204 3.113 -3.308 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.271 2.049 -0.998 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.281 3.729 -2.700 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.811 3.192 -1.546 1.00 0.00 C ATOM 797 OH TYR A 53 -14.885 3.802 -0.938 1.00 0.00 O ATOM 0 H TYR A 53 -9.081 3.435 -3.116 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.212 0.850 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.353 1.713 -4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.718 0.228 -3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.771 0.545 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.793 3.534 -4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.688 1.631 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.705 4.626 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.848 3.642 0.028 1.00 0.00 H new ATOM 807 N GLY A 54 -6.975 0.294 -2.959 1.00 0.00 N ATOM 808 CA GLY A 54 -5.911 -0.315 -3.739 1.00 0.00 C ATOM 809 C GLY A 54 -4.639 -0.492 -2.943 1.00 0.00 C ATOM 810 O GLY A 54 -4.462 0.141 -1.903 1.00 0.00 O ATOM 0 H GLY A 54 -6.814 0.331 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.244 -1.286 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.706 0.303 -4.613 1.00 0.00 H new ATOM 814 N ILE A 55 -3.732 -1.329 -3.442 1.00 0.00 N ATOM 815 CA ILE A 55 -2.461 -1.537 -2.767 1.00 0.00 C ATOM 816 C ILE A 55 -1.659 -0.250 -2.851 1.00 0.00 C ATOM 817 O ILE A 55 -0.886 0.085 -1.953 1.00 0.00 O ATOM 818 CB ILE A 55 -1.656 -2.700 -3.386 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.438 -3.023 -2.518 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.224 -2.351 -4.801 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.173 -4.375 -2.814 1.00 0.00 C ATOM 0 H ILE A 55 -3.854 -1.866 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.659 -1.804 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.295 -3.582 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.318 -2.252 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.730 -2.987 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.658 -3.181 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.105 -2.163 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.599 -1.458 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.031 -4.537 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.568 -5.155 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.496 -4.408 -3.854 1.00 0.00 H new ATOM 833 N LEU A 56 -1.899 0.491 -3.932 1.00 0.00 N ATOM 834 CA LEU A 56 -1.258 1.777 -4.144 1.00 0.00 C ATOM 835 C LEU A 56 -2.269 2.879 -3.846 1.00 0.00 C ATOM 836 O LEU A 56 -2.024 4.049 -4.125 1.00 0.00 O ATOM 837 CB LEU A 56 -0.721 1.916 -5.584 1.00 0.00 C ATOM 838 CG LEU A 56 0.809 2.077 -5.719 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.372 2.895 -4.566 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.476 0.711 -5.778 1.00 0.00 C ATOM 0 H LEU A 56 -2.539 0.215 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.402 1.859 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.026 1.037 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.200 2.778 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 56 1.019 2.611 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.451 2.995 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.914 3.884 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.154 2.393 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.555 0.837 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.254 0.158 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.098 0.158 -6.638 1.00 0.00 H new ATOM 852 N GLN A 57 -3.412 2.483 -3.265 1.00 0.00 N ATOM 853 CA GLN A 57 -4.481 3.415 -2.903 1.00 0.00 C ATOM 854 C GLN A 57 -5.174 4.009 -4.127 1.00 0.00 C ATOM 855 O GLN A 57 -4.912 5.155 -4.492 1.00 0.00 O ATOM 856 CB GLN A 57 -3.930 4.539 -2.021 1.00 0.00 C ATOM 857 CG GLN A 57 -3.373 4.052 -0.694 1.00 0.00 C ATOM 858 CD GLN A 57 -3.393 5.125 0.376 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.864 4.898 1.491 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.880 6.304 0.043 1.00 0.00 N ATOM 0 H GLN A 57 -3.617 1.511 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.227 2.845 -2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.145 5.064 -2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.723 5.262 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.953 3.194 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.349 3.707 -0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.500 6.449 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.866 7.064 0.723 1.00 0.00 H new ATOM 869 N ILE A 58 -6.055 3.235 -4.773 1.00 0.00 N ATOM 870 CA ILE A 58 -6.743 3.727 -5.948 1.00 0.00 C ATOM 871 C ILE A 58 -7.999 4.475 -5.553 1.00 0.00 C ATOM 872 O ILE A 58 -9.056 3.876 -5.350 1.00 0.00 O ATOM 873 CB ILE A 58 -7.112 2.590 -6.920 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.042 1.493 -6.899 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.290 3.141 -8.327 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.667 1.973 -7.314 1.00 0.00 C ATOM 0 H ILE A 58 -6.298 2.283 -4.499 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.056 4.402 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.055 2.148 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.983 1.075 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.350 0.685 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.551 2.329 -9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.087 3.885 -8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.360 3.605 -8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.964 1.141 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.710 2.364 -8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.336 2.760 -6.636 1.00 0.00 H new ATOM 888 N ASN A 59 -7.882 5.791 -5.454 1.00 0.00 N ATOM 889 CA ASN A 59 -9.014 6.619 -5.100 1.00 0.00 C ATOM 890 C ASN A 59 -10.085 6.474 -6.165 1.00 0.00 C ATOM 891 O ASN A 59 -9.971 7.045 -7.245 1.00 0.00 O ATOM 892 CB ASN A 59 -8.584 8.082 -4.977 1.00 0.00 C ATOM 893 CG ASN A 59 -9.751 9.010 -4.696 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.806 8.575 -4.232 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.566 10.294 -4.974 1.00 0.00 N ATOM 0 H ASN A 59 -7.014 6.303 -5.614 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.412 6.298 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.849 8.175 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.092 8.391 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.315 10.966 -4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.675 10.610 -5.357 1.00 0.00 H new ATOM 902 N SER A 60 -11.118 5.699 -5.871 1.00 0.00 N ATOM 903 CA SER A 60 -12.199 5.479 -6.828 1.00 0.00 C ATOM 904 C SER A 60 -12.905 6.779 -7.219 1.00 0.00 C ATOM 905 O SER A 60 -13.632 6.814 -8.213 1.00 0.00 O ATOM 906 CB SER A 60 -13.219 4.495 -6.253 1.00 0.00 C ATOM 907 OG SER A 60 -14.137 5.152 -5.396 1.00 0.00 O ATOM 0 H SER A 60 -11.233 5.212 -4.982 1.00 0.00 H new ATOM 0 HA SER A 60 -11.748 5.064 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.759 4.010 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.701 3.710 -5.702 1.00 0.00 H new ATOM 0 HG SER A 60 -14.675 4.485 -4.921 1.00 0.00 H new ATOM 913 N ARG A 61 -12.698 7.844 -6.448 1.00 0.00 N ATOM 914 CA ARG A 61 -13.331 9.128 -6.745 1.00 0.00 C ATOM 915 C ARG A 61 -12.577 9.864 -7.847 1.00 0.00 C ATOM 916 O ARG A 61 -13.159 10.263 -8.855 1.00 0.00 O ATOM 917 CB ARG A 61 -13.391 9.993 -5.484 1.00 0.00 C ATOM 918 CG ARG A 61 -14.163 11.291 -5.673 1.00 0.00 C ATOM 919 CD ARG A 61 -15.658 11.078 -5.509 1.00 0.00 C ATOM 920 NE ARG A 61 -16.435 12.098 -6.207 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.800 13.252 -5.658 1.00 0.00 C ATOM 922 NH1 ARG A 61 -16.461 13.533 -4.407 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.506 14.129 -6.360 1.00 0.00 N ATOM 0 H ARG A 61 -12.102 7.845 -5.620 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.346 8.934 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.853 9.419 -4.681 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.375 10.227 -5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.818 12.029 -4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.959 11.696 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.928 10.093 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.912 11.091 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.714 11.915 -7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.918 12.862 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.743 14.420 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.769 13.918 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.785 15.014 -5.937 1.00 0.00 H new ATOM 937 N TRP A 62 -11.278 10.040 -7.641 1.00 0.00 N ATOM 938 CA TRP A 62 -10.437 10.730 -8.613 1.00 0.00 C ATOM 939 C TRP A 62 -10.098 9.802 -9.774 1.00 0.00 C ATOM 940 O TRP A 62 -10.081 10.219 -10.933 1.00 0.00 O ATOM 941 CB TRP A 62 -9.152 11.230 -7.950 1.00 0.00 C ATOM 942 CG TRP A 62 -8.724 12.583 -8.430 1.00 0.00 C ATOM 943 CD1 TRP A 62 -7.606 12.879 -9.157 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.404 13.825 -8.216 1.00 0.00 C ATOM 945 NE1 TRP A 62 -7.550 14.229 -9.408 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.644 14.831 -8.842 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.584 14.183 -7.558 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.025 16.171 -8.827 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.962 15.514 -7.545 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.184 16.493 -8.176 1.00 0.00 C ATOM 0 H TRP A 62 -10.783 9.715 -6.810 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.989 11.588 -8.997 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.298 11.265 -6.870 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.352 10.515 -8.140 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -6.873 12.157 -9.486 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -6.815 14.705 -9.930 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.190 13.435 -7.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.427 16.928 -9.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.872 15.803 -7.040 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.506 17.524 -8.148 1.00 0.00 H new ATOM 961 N TRP A 63 -9.833 8.543 -9.450 1.00 0.00 N ATOM 962 CA TRP A 63 -9.498 7.544 -10.457 1.00 0.00 C ATOM 963 C TRP A 63 -10.602 6.502 -10.579 1.00 0.00 C ATOM 964 O TRP A 63 -11.405 6.326 -9.666 1.00 0.00 O ATOM 965 CB TRP A 63 -8.180 6.851 -10.103 1.00 0.00 C ATOM 966 CG TRP A 63 -7.121 7.801 -9.644 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.501 7.837 -8.427 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.567 8.866 -10.409 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.583 8.862 -8.400 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.608 9.509 -9.609 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.794 9.330 -11.699 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.874 10.602 -10.067 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.073 10.408 -12.154 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.121 11.039 -11.341 1.00 0.00 C ATOM 0 H TRP A 63 -9.844 8.188 -8.494 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.392 8.057 -11.413 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.363 6.115 -9.320 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.818 6.306 -10.975 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.701 7.162 -7.608 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.983 9.101 -7.611 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.525 8.851 -12.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.139 11.086 -9.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.243 10.775 -13.155 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.572 11.885 -11.727 1.00 0.00 H new ATOM 985 N CYS A 64 -10.603 5.798 -11.708 1.00 0.00 N ATOM 986 CA CYS A 64 -11.569 4.734 -11.986 1.00 0.00 C ATOM 987 C CYS A 64 -13.018 5.163 -11.793 1.00 0.00 C ATOM 988 O CYS A 64 -13.330 6.055 -11.006 1.00 0.00 O ATOM 989 CB CYS A 64 -11.280 3.508 -11.113 1.00 0.00 C ATOM 990 SG CYS A 64 -12.044 3.560 -9.457 1.00 0.00 S ATOM 0 H CYS A 64 -9.931 5.949 -12.461 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.447 4.486 -13.040 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.631 2.617 -11.633 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.201 3.406 -10.998 1.00 0.00 H new ATOM 995 N ASN A 65 -13.904 4.492 -12.521 1.00 0.00 N ATOM 996 CA ASN A 65 -15.332 4.769 -12.436 1.00 0.00 C ATOM 997 C ASN A 65 -16.028 3.682 -11.622 1.00 0.00 C ATOM 998 O ASN A 65 -16.053 2.518 -12.021 1.00 0.00 O ATOM 999 CB ASN A 65 -15.947 4.850 -13.836 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.404 5.265 -13.804 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.752 6.310 -13.254 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.266 4.447 -14.396 1.00 0.00 N ATOM 0 H ASN A 65 -13.657 3.751 -13.177 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.470 5.729 -11.939 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.382 5.563 -14.437 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.859 3.880 -14.325 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.260 4.675 -14.407 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.934 3.591 -14.840 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.579 4.065 -10.475 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.259 3.112 -9.603 1.00 0.00 C ATOM 1011 C ASP A 66 -18.756 3.061 -9.889 1.00 0.00 C ATOM 1012 O ASP A 66 -19.405 2.042 -9.650 1.00 0.00 O ATOM 1013 CB ASP A 66 -17.019 3.475 -8.136 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.765 4.726 -7.719 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.619 5.761 -8.404 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.495 4.673 -6.707 1.00 0.00 O ATOM 0 H ASP A 66 -16.569 5.024 -10.128 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.845 2.124 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.329 2.643 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.951 3.620 -7.971 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.302 4.159 -10.405 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.721 4.205 -10.715 1.00 0.00 C ATOM 1023 C GLY A 67 -21.596 4.254 -9.476 1.00 0.00 C ATOM 1024 O GLY A 67 -22.802 4.484 -9.572 1.00 0.00 O ATOM 0 H GLY A 67 -18.789 5.016 -10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.925 5.080 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.987 3.329 -11.307 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.993 4.034 -8.310 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.732 4.052 -7.053 1.00 0.00 C ATOM 1030 C ARG A 68 -21.548 5.381 -6.325 1.00 0.00 C ATOM 1031 O ARG A 68 -22.111 5.594 -5.252 1.00 0.00 O ATOM 1032 CB ARG A 68 -21.277 2.900 -6.155 1.00 0.00 C ATOM 1033 CG ARG A 68 -22.402 1.955 -5.763 1.00 0.00 C ATOM 1034 CD ARG A 68 -22.405 1.683 -4.268 1.00 0.00 C ATOM 1035 NE ARG A 68 -23.648 2.113 -3.635 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.701 2.971 -2.619 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.584 3.486 -2.123 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -24.871 3.313 -2.099 1.00 0.00 N ATOM 0 H ARG A 68 -19.996 3.842 -8.211 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.790 3.931 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.500 2.334 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.827 3.310 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -23.359 2.385 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.295 1.015 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -22.260 0.617 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.565 2.200 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 68 -24.526 1.735 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.682 3.225 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.627 4.143 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.732 2.919 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -24.910 3.971 -1.320 1.00 0.00 H new ATOM 1052 N THR A 69 -20.756 6.270 -6.916 1.00 0.00 N ATOM 1053 CA THR A 69 -20.497 7.576 -6.322 1.00 0.00 C ATOM 1054 C THR A 69 -20.503 8.675 -7.383 1.00 0.00 C ATOM 1055 O THR A 69 -19.533 8.836 -8.124 1.00 0.00 O ATOM 1056 CB THR A 69 -19.147 7.600 -5.581 1.00 0.00 C ATOM 1057 OG1 THR A 69 -19.042 6.463 -4.717 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.998 8.875 -4.766 1.00 0.00 C ATOM 0 H THR A 69 -20.283 6.110 -7.805 1.00 0.00 H new ATOM 0 HA THR A 69 -21.298 7.761 -5.606 1.00 0.00 H new ATOM 0 HB THR A 69 -18.351 7.567 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.840 5.665 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.037 8.868 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 69 -19.049 9.739 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.801 8.933 -4.032 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.600 9.448 -7.469 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.725 10.536 -8.447 1.00 0.00 C ATOM 1068 C PRO A 70 -20.577 11.535 -8.346 1.00 0.00 C ATOM 1069 O PRO A 70 -20.530 12.351 -7.426 1.00 0.00 O ATOM 1070 CB PRO A 70 -23.051 11.206 -8.075 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.821 10.156 -7.353 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.803 9.325 -6.626 1.00 0.00 C ATOM 0 HA PRO A 70 -21.696 10.167 -9.472 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.889 12.081 -7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.584 11.547 -8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -24.531 10.602 -6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.398 9.547 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.627 9.697 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.124 8.288 -6.532 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.654 11.463 -9.299 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.516 12.365 -9.300 1.00 0.00 C ATOM 1082 C GLY A 71 -17.250 11.704 -9.808 1.00 0.00 C ATOM 1083 O GLY A 71 -16.221 12.361 -9.968 1.00 0.00 O ATOM 0 H GLY A 71 -19.673 10.796 -10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.744 13.231 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.348 12.734 -8.288 1.00 0.00 H new ATOM 1087 N SER A 72 -17.324 10.400 -10.061 1.00 0.00 N ATOM 1088 CA SER A 72 -16.176 9.647 -10.553 1.00 0.00 C ATOM 1089 C SER A 72 -15.639 10.260 -11.843 1.00 0.00 C ATOM 1090 O SER A 72 -16.285 10.193 -12.889 1.00 0.00 O ATOM 1091 CB SER A 72 -16.561 8.186 -10.790 1.00 0.00 C ATOM 1092 OG SER A 72 -17.952 8.057 -11.030 1.00 0.00 O ATOM 0 H SER A 72 -18.169 9.843 -9.933 1.00 0.00 H new ATOM 0 HA SER A 72 -15.392 9.689 -9.797 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.004 7.793 -11.641 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.281 7.588 -9.923 1.00 0.00 H new ATOM 0 HG SER A 72 -18.099 7.453 -11.787 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.456 10.858 -11.758 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.830 11.487 -12.918 1.00 0.00 C ATOM 1100 C ARG A 73 -13.495 10.452 -13.987 1.00 0.00 C ATOM 1101 O ARG A 73 -13.609 10.724 -15.183 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.561 12.231 -12.496 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.796 13.266 -11.410 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.820 14.426 -11.524 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.183 15.342 -12.601 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.132 16.268 -12.493 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -13.809 16.399 -11.361 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.402 17.065 -13.519 1.00 0.00 N ATOM 0 H ARG A 73 -13.910 10.921 -10.899 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.539 12.199 -13.340 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.826 11.507 -12.144 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.131 12.723 -13.368 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.817 13.641 -11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.693 12.798 -10.431 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.791 14.970 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.816 14.039 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.681 15.268 -13.486 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.603 15.789 -10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.536 17.110 -11.281 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.882 16.968 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.130 17.775 -13.436 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.072 9.269 -13.547 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.707 8.191 -14.462 1.00 0.00 C ATOM 1124 C ASN A 74 -11.486 8.595 -15.271 1.00 0.00 C ATOM 1125 O ASN A 74 -11.351 8.251 -16.446 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.875 7.853 -15.395 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.736 6.479 -16.022 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -14.043 6.289 -17.199 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.271 5.513 -15.238 1.00 0.00 N ATOM 0 H ASN A 74 -12.974 9.033 -12.560 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.470 7.302 -13.878 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.809 7.901 -14.835 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.936 8.604 -16.183 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.156 4.569 -15.606 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.029 5.716 -14.268 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.595 9.323 -14.613 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.363 9.786 -15.214 1.00 0.00 C ATOM 1138 C LEU A 75 -8.531 8.626 -15.696 1.00 0.00 C ATOM 1139 O LEU A 75 -7.927 8.651 -16.768 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.587 10.535 -14.154 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.832 12.044 -14.123 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.252 12.664 -12.862 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.255 12.707 -15.365 1.00 0.00 C ATOM 0 H LEU A 75 -10.712 9.608 -13.641 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.592 10.423 -16.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.840 10.120 -13.178 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.523 10.357 -14.310 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.909 12.212 -14.115 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.440 13.738 -12.865 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.722 12.216 -11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.178 12.484 -12.829 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.440 13.780 -15.324 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.181 12.525 -15.409 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.730 12.291 -16.253 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.519 7.618 -14.864 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.791 6.408 -15.108 1.00 0.00 C ATOM 1157 C CYS A 76 -8.609 5.500 -16.016 1.00 0.00 C ATOM 1158 O CYS A 76 -8.135 4.453 -16.460 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.549 5.779 -13.750 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.298 4.459 -13.685 1.00 0.00 S ATOM 0 H CYS A 76 -9.027 7.619 -13.980 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.841 6.587 -15.612 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.253 6.566 -13.056 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.494 5.374 -13.387 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.854 5.928 -16.264 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.784 5.168 -17.100 1.00 0.00 C ATOM 1167 C ASN A 77 -10.549 3.700 -16.821 1.00 0.00 C ATOM 1168 O ASN A 77 -10.333 2.893 -17.726 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.563 5.478 -18.582 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.845 5.396 -19.386 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.245 6.359 -20.040 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.497 4.240 -19.344 1.00 0.00 N ATOM 0 H ASN A 77 -10.238 6.798 -15.896 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.813 5.441 -16.866 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.138 6.477 -18.682 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.835 4.779 -18.992 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.365 4.125 -19.867 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.130 3.467 -18.789 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.520 3.394 -15.534 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.230 2.077 -15.071 1.00 0.00 C ATOM 1181 C ILE A 78 -11.328 1.478 -14.190 1.00 0.00 C ATOM 1182 O ILE A 78 -12.104 2.200 -13.567 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.908 2.132 -14.319 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -7.954 1.157 -14.947 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -9.075 1.871 -12.831 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -6.736 1.812 -15.559 1.00 0.00 C ATOM 0 H ILE A 78 -10.700 4.067 -14.789 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.169 1.417 -15.936 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.504 3.141 -14.398 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.630 0.440 -14.192 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.479 0.593 -15.718 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.102 1.922 -12.341 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.737 2.623 -12.402 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.505 0.881 -12.681 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.092 1.048 -15.994 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.049 2.508 -16.337 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.188 2.353 -14.788 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.379 0.135 -14.113 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.345 -0.579 -13.290 1.00 0.00 C ATOM 1200 C PRO A 79 -11.835 -0.714 -11.860 1.00 0.00 C ATOM 1201 O PRO A 79 -10.838 -1.391 -11.609 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.434 -1.941 -13.974 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.092 -2.154 -14.595 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.472 -0.793 -14.810 1.00 0.00 C ATOM 0 HA PRO A 79 -13.309 -0.076 -13.213 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.665 -2.728 -13.256 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.223 -1.953 -14.726 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.462 -2.765 -13.948 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.187 -2.686 -15.541 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.463 -0.746 -14.400 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.396 -0.554 -15.871 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.505 -0.042 -10.934 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.108 -0.051 -9.529 1.00 0.00 C ATOM 1214 C CYS A 80 -12.019 -1.463 -8.948 1.00 0.00 C ATOM 1215 O CYS A 80 -10.990 -1.844 -8.391 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.085 0.799 -8.719 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.636 2.305 -9.590 1.00 0.00 S ATOM 0 H CYS A 80 -13.333 0.521 -11.131 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.106 0.373 -9.468 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.957 0.195 -8.467 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.613 1.085 -7.779 1.00 0.00 H new ATOM 1222 N SER A 81 -13.102 -2.225 -9.054 1.00 0.00 N ATOM 1223 CA SER A 81 -13.141 -3.584 -8.511 1.00 0.00 C ATOM 1224 C SER A 81 -12.064 -4.485 -9.119 1.00 0.00 C ATOM 1225 O SER A 81 -11.701 -5.504 -8.531 1.00 0.00 O ATOM 1226 CB SER A 81 -14.521 -4.201 -8.743 1.00 0.00 C ATOM 1227 OG SER A 81 -14.700 -4.556 -10.104 1.00 0.00 O ATOM 0 H SER A 81 -13.965 -1.928 -9.510 1.00 0.00 H new ATOM 0 HA SER A 81 -12.941 -3.510 -7.442 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.638 -5.084 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.294 -3.493 -8.444 1.00 0.00 H new ATOM 0 HG SER A 81 -15.589 -4.950 -10.225 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.561 -4.120 -10.294 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.537 -4.919 -10.963 1.00 0.00 C ATOM 1235 C ALA A 82 -9.147 -4.646 -10.392 1.00 0.00 C ATOM 1236 O ALA A 82 -8.218 -5.428 -10.595 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.553 -4.655 -12.459 1.00 0.00 C ATOM 0 H ALA A 82 -11.843 -3.281 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.769 -5.969 -10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.784 -5.258 -12.943 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.530 -4.919 -12.865 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.356 -3.599 -12.644 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.016 -3.540 -9.669 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.739 -3.171 -9.063 1.00 0.00 C ATOM 1245 C LEU A 83 -7.649 -3.690 -7.637 1.00 0.00 C ATOM 1246 O LEU A 83 -6.629 -3.528 -6.967 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.549 -1.652 -9.072 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.359 -0.899 -10.126 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -8.778 0.464 -9.599 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -7.556 -0.750 -11.408 1.00 0.00 C ATOM 0 H LEU A 83 -9.775 -2.884 -9.487 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.947 -3.628 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.813 -1.263 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.492 -1.435 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.258 -1.475 -10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.354 0.988 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.390 0.336 -8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.891 1.047 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.148 -0.211 -12.148 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.641 -0.195 -11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.302 -1.737 -11.795 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.733 -4.293 -7.169 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.790 -4.813 -5.811 1.00 0.00 C ATOM 1264 C LEU A 84 -8.575 -6.324 -5.777 1.00 0.00 C ATOM 1265 O LEU A 84 -8.463 -6.918 -4.704 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.133 -4.444 -5.181 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.621 -3.023 -5.492 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.715 -2.613 -4.525 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.465 -2.027 -5.440 1.00 0.00 C ATOM 0 H LEU A 84 -9.586 -4.434 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.983 -4.361 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.886 -5.154 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.055 -4.558 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.030 -3.019 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.049 -1.603 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.555 -3.302 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.329 -2.639 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.836 -1.027 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.022 -2.035 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.710 -2.307 -6.175 1.00 0.00 H new ATOM 1281 N SER A 85 -8.512 -6.941 -6.953 1.00 0.00 N ATOM 1282 CA SER A 85 -8.302 -8.382 -7.051 1.00 0.00 C ATOM 1283 C SER A 85 -6.950 -8.778 -6.471 1.00 0.00 C ATOM 1284 O SER A 85 -6.213 -7.942 -5.950 1.00 0.00 O ATOM 1285 CB SER A 85 -8.393 -8.830 -8.511 1.00 0.00 C ATOM 1286 OG SER A 85 -7.247 -8.429 -9.241 1.00 0.00 O ATOM 0 H SER A 85 -8.603 -6.466 -7.851 1.00 0.00 H new ATOM 0 HA SER A 85 -9.082 -8.878 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.495 -9.914 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.286 -8.406 -8.969 1.00 0.00 H new ATOM 0 HG SER A 85 -7.330 -8.729 -10.170 1.00 0.00 H new ATOM 1292 N SER A 86 -6.631 -10.060 -6.578 1.00 0.00 N ATOM 1293 CA SER A 86 -5.364 -10.585 -6.076 1.00 0.00 C ATOM 1294 C SER A 86 -4.252 -10.329 -7.084 1.00 0.00 C ATOM 1295 O SER A 86 -3.292 -11.094 -7.182 1.00 0.00 O ATOM 1296 CB SER A 86 -5.482 -12.084 -5.790 1.00 0.00 C ATOM 1297 OG SER A 86 -6.742 -12.584 -6.202 1.00 0.00 O ATOM 0 H SER A 86 -7.234 -10.761 -7.010 1.00 0.00 H new ATOM 0 HA SER A 86 -5.121 -10.072 -5.146 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.687 -12.620 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.346 -12.266 -4.724 1.00 0.00 H new ATOM 0 HG SER A 86 -6.778 -12.615 -7.181 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.401 -9.245 -7.833 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.431 -8.866 -8.848 1.00 0.00 C ATOM 1305 C ASP A 87 -3.155 -7.369 -8.783 1.00 0.00 C ATOM 1306 O ASP A 87 -4.080 -6.558 -8.833 1.00 0.00 O ATOM 1307 CB ASP A 87 -3.957 -9.253 -10.228 1.00 0.00 C ATOM 1308 CG ASP A 87 -2.997 -8.892 -11.343 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -1.788 -8.748 -11.064 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.454 -8.757 -12.499 1.00 0.00 O ATOM 0 H ASP A 87 -5.193 -8.608 -7.754 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.495 -9.394 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.148 -10.326 -10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.911 -8.756 -10.401 1.00 0.00 H new ATOM 1315 N ILE A 88 -1.882 -7.002 -8.661 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.500 -5.596 -8.579 1.00 0.00 C ATOM 1317 C ILE A 88 -1.460 -4.943 -9.951 1.00 0.00 C ATOM 1318 O ILE A 88 -1.274 -3.735 -10.056 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.122 -5.410 -7.911 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.776 -6.620 -8.168 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.283 -5.169 -6.418 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.249 -6.279 -8.206 1.00 0.00 C ATOM 0 H ILE A 88 -1.101 -7.656 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.264 -5.116 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 88 0.356 -4.535 -8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.603 -7.363 -7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.492 -7.079 -9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.699 -5.040 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.879 -4.271 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.784 -6.023 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.827 -7.184 -8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.435 -5.559 -9.003 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.547 -5.848 -7.250 1.00 0.00 H new ATOM 1334 N THR A 89 -1.624 -5.738 -11.002 1.00 0.00 N ATOM 1335 CA THR A 89 -1.594 -5.211 -12.360 1.00 0.00 C ATOM 1336 C THR A 89 -2.534 -4.022 -12.513 1.00 0.00 C ATOM 1337 O THR A 89 -2.141 -2.972 -13.017 1.00 0.00 O ATOM 1338 CB THR A 89 -1.973 -6.289 -13.394 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.105 -7.421 -13.262 1.00 0.00 O ATOM 1340 CG2 THR A 89 -1.882 -5.738 -14.810 1.00 0.00 C ATOM 0 H THR A 89 -1.778 -6.744 -10.940 1.00 0.00 H new ATOM 0 HA THR A 89 -0.570 -4.886 -12.546 1.00 0.00 H new ATOM 0 HB THR A 89 -3.002 -6.595 -13.205 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.089 -7.713 -12.327 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.154 -6.517 -15.522 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.564 -4.895 -14.917 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.862 -5.407 -15.007 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.783 -4.199 -12.095 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.781 -3.156 -12.204 1.00 0.00 C ATOM 1350 C ALA A 90 -4.482 -1.960 -11.295 1.00 0.00 C ATOM 1351 O ALA A 90 -4.466 -0.817 -11.753 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.157 -3.725 -11.906 1.00 0.00 C ATOM 0 H ALA A 90 -4.124 -5.064 -11.675 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.755 -2.784 -13.228 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.903 -2.935 -11.990 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.385 -4.517 -12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.171 -4.132 -10.895 1.00 0.00 H new ATOM 1358 N SER A 91 -4.243 -2.223 -10.009 1.00 0.00 N ATOM 1359 CA SER A 91 -3.945 -1.157 -9.052 1.00 0.00 C ATOM 1360 C SER A 91 -2.669 -0.418 -9.427 1.00 0.00 C ATOM 1361 O SER A 91 -2.528 0.776 -9.157 1.00 0.00 O ATOM 1362 CB SER A 91 -3.811 -1.729 -7.639 1.00 0.00 C ATOM 1363 OG SER A 91 -4.098 -3.116 -7.619 1.00 0.00 O ATOM 0 H SER A 91 -4.250 -3.161 -9.608 1.00 0.00 H new ATOM 0 HA SER A 91 -4.774 -0.450 -9.078 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.800 -1.559 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.489 -1.205 -6.966 1.00 0.00 H new ATOM 0 HG SER A 91 -5.062 -3.249 -7.502 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.744 -1.129 -10.050 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.490 -0.515 -10.448 1.00 0.00 C ATOM 1371 C VAL A 92 -0.651 0.271 -11.729 1.00 0.00 C ATOM 1372 O VAL A 92 -0.197 1.396 -11.809 1.00 0.00 O ATOM 1373 CB VAL A 92 0.664 -1.519 -10.621 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.840 -0.849 -11.331 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.094 -2.078 -9.273 1.00 0.00 C ATOM 0 H VAL A 92 -1.835 -2.117 -10.288 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.226 0.150 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 92 0.316 -2.350 -11.235 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.651 -1.567 -11.449 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.521 -0.498 -12.312 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.188 -0.003 -10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.911 -2.786 -9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.429 -1.263 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.251 -2.586 -8.804 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.289 -0.319 -12.730 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.489 0.357 -13.983 1.00 0.00 C ATOM 1387 C ASN A 93 -2.072 1.742 -13.745 1.00 0.00 C ATOM 1388 O ASN A 93 -1.623 2.735 -14.325 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.386 -0.483 -14.871 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.698 0.194 -15.212 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.721 -0.060 -14.577 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.675 1.059 -16.220 1.00 0.00 N ATOM 0 H ASN A 93 -1.673 -1.263 -12.689 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.533 0.487 -14.489 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.855 -0.717 -15.794 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.593 -1.431 -14.374 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.529 1.544 -16.496 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.803 1.238 -16.718 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.054 1.801 -12.858 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.682 3.059 -12.509 1.00 0.00 C ATOM 1401 C CYS A 94 -2.652 3.989 -11.881 1.00 0.00 C ATOM 1402 O CYS A 94 -2.525 5.146 -12.284 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.847 2.826 -11.549 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.190 4.048 -11.696 1.00 0.00 S ATOM 0 H CYS A 94 -3.431 0.990 -12.368 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.074 3.523 -13.414 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.255 1.831 -11.725 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.469 2.839 -10.527 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.906 3.480 -10.898 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.887 4.291 -10.243 1.00 0.00 C ATOM 1411 C ALA A 95 0.231 4.611 -11.217 1.00 0.00 C ATOM 1412 O ALA A 95 0.856 5.659 -11.129 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.340 3.611 -9.009 1.00 0.00 C ATOM 0 H ALA A 95 -1.988 2.526 -10.545 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.355 5.221 -9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.417 4.246 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.149 3.439 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.108 2.657 -9.288 1.00 0.00 H new ATOM 1419 N LYS A 96 0.464 3.707 -12.162 1.00 0.00 N ATOM 1420 CA LYS A 96 1.485 3.916 -13.170 1.00 0.00 C ATOM 1421 C LYS A 96 1.214 5.271 -13.804 1.00 0.00 C ATOM 1422 O LYS A 96 2.118 6.058 -14.098 1.00 0.00 O ATOM 1423 CB LYS A 96 1.433 2.813 -14.231 1.00 0.00 C ATOM 1424 CG LYS A 96 2.202 1.560 -13.844 1.00 0.00 C ATOM 1425 CD LYS A 96 1.937 0.422 -14.816 1.00 0.00 C ATOM 1426 CE LYS A 96 3.232 -0.198 -15.315 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.491 0.132 -16.743 1.00 0.00 N ATOM 0 H LYS A 96 -0.042 2.825 -12.247 1.00 0.00 H new ATOM 0 HA LYS A 96 2.478 3.887 -12.721 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.392 2.548 -14.417 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.835 3.201 -15.167 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.269 1.779 -13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.918 1.254 -12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.332 -0.341 -14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.360 0.793 -15.663 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.063 0.156 -14.704 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.186 -1.280 -15.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.041 -0.634 -17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.586 0.240 -17.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.027 1.021 -16.802 1.00 0.00 H new ATOM 1441 N LYS A 97 -0.082 5.532 -13.951 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.566 6.791 -14.490 1.00 0.00 C ATOM 1443 C LYS A 97 -0.499 7.864 -13.412 1.00 0.00 C ATOM 1444 O LYS A 97 -0.279 9.041 -13.702 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.999 6.643 -15.005 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.084 6.080 -16.413 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.056 6.872 -17.273 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.763 6.696 -18.754 1.00 0.00 C ATOM 1449 NZ LYS A 97 -2.986 7.954 -19.518 1.00 0.00 N ATOM 0 H LYS A 97 -0.821 4.876 -13.699 1.00 0.00 H new ATOM 0 HA LYS A 97 0.066 7.083 -15.329 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.554 5.993 -14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.487 7.617 -14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.095 6.095 -16.872 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.400 5.038 -16.371 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.076 6.549 -17.062 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.996 7.929 -17.012 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.731 6.371 -18.884 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.398 5.908 -19.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.775 7.792 -20.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.977 8.251 -19.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.361 8.699 -19.149 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.671 7.443 -12.160 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.607 8.359 -11.031 1.00 0.00 C ATOM 1465 C ILE A 98 0.781 8.986 -10.942 1.00 0.00 C ATOM 1466 O ILE A 98 0.928 10.206 -10.870 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.938 7.658 -9.698 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.425 7.296 -9.648 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.567 8.552 -8.523 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.817 6.500 -8.421 1.00 0.00 C ATOM 0 H ILE A 98 -0.856 6.473 -11.906 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.356 9.133 -11.200 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.354 6.740 -9.630 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.014 8.213 -9.679 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.680 6.723 -10.539 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.807 8.044 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.501 8.770 -8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.129 9.484 -8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.884 6.281 -8.455 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.255 5.566 -8.398 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.594 7.079 -7.525 1.00 0.00 H new ATOM 1482 N VAL A 99 1.791 8.126 -10.947 1.00 0.00 N ATOM 1483 CA VAL A 99 3.179 8.550 -10.866 1.00 0.00 C ATOM 1484 C VAL A 99 3.622 9.244 -12.147 1.00 0.00 C ATOM 1485 O VAL A 99 4.547 10.055 -12.133 1.00 0.00 O ATOM 1486 CB VAL A 99 4.108 7.351 -10.598 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.094 6.392 -11.778 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.524 7.822 -10.302 1.00 0.00 C ATOM 0 H VAL A 99 1.669 7.115 -11.007 1.00 0.00 H new ATOM 0 HA VAL A 99 3.249 9.254 -10.037 1.00 0.00 H new ATOM 0 HB VAL A 99 3.738 6.820 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.756 5.551 -11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.080 6.025 -11.937 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.436 6.911 -12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.163 6.959 -10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.908 8.380 -11.156 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.517 8.465 -9.422 1.00 0.00 H new ATOM 1498 N SER A 100 2.947 8.937 -13.254 1.00 0.00 N ATOM 1499 CA SER A 100 3.275 9.553 -14.533 1.00 0.00 C ATOM 1500 C SER A 100 2.554 10.887 -14.683 1.00 0.00 C ATOM 1501 O SER A 100 2.845 11.664 -15.592 1.00 0.00 O ATOM 1502 CB SER A 100 2.897 8.620 -15.685 1.00 0.00 C ATOM 1503 OG SER A 100 3.526 9.019 -16.891 1.00 0.00 O ATOM 0 H SER A 100 2.176 8.270 -13.289 1.00 0.00 H new ATOM 0 HA SER A 100 4.350 9.732 -14.563 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.188 7.598 -15.440 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.815 8.621 -15.818 1.00 0.00 H new ATOM 0 HG SER A 100 3.635 9.993 -16.896 1.00 0.00 H new ATOM 1509 N ASP A 101 1.607 11.141 -13.785 1.00 0.00 N ATOM 1510 CA ASP A 101 0.835 12.378 -13.814 1.00 0.00 C ATOM 1511 C ASP A 101 1.603 13.528 -13.170 1.00 0.00 C ATOM 1512 O ASP A 101 1.155 14.674 -13.199 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.504 12.183 -13.100 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.670 12.110 -14.065 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.667 11.213 -14.934 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -2.586 12.952 -13.953 1.00 0.00 O ATOM 0 H ASP A 101 1.356 10.506 -13.028 1.00 0.00 H new ATOM 0 HA ASP A 101 0.654 12.633 -14.858 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.467 11.268 -12.509 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.664 13.006 -12.403 1.00 0.00 H new ATOM 1521 N GLY A 102 2.764 13.223 -12.594 1.00 0.00 N ATOM 1522 CA GLY A 102 3.565 14.255 -11.962 1.00 0.00 C ATOM 1523 C GLY A 102 3.954 13.915 -10.534 1.00 0.00 C ATOM 1524 O GLY A 102 5.096 14.132 -10.129 1.00 0.00 O ATOM 0 H GLY A 102 3.161 12.284 -12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.469 14.417 -12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.009 15.193 -11.968 1.00 0.00 H new ATOM 1528 N ASN A 103 3.003 13.391 -9.766 1.00 0.00 N ATOM 1529 CA ASN A 103 3.256 13.032 -8.373 1.00 0.00 C ATOM 1530 C ASN A 103 3.665 11.566 -8.241 1.00 0.00 C ATOM 1531 O ASN A 103 2.862 10.664 -8.483 1.00 0.00 O ATOM 1532 CB ASN A 103 2.014 13.304 -7.523 1.00 0.00 C ATOM 1533 CG ASN A 103 2.059 14.662 -6.850 1.00 0.00 C ATOM 1534 OD1 ASN A 103 2.561 15.633 -7.417 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.534 14.736 -5.633 1.00 0.00 N ATOM 0 H ASN A 103 2.052 13.206 -10.083 1.00 0.00 H new ATOM 0 HA ASN A 103 4.081 13.648 -8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.126 13.243 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.920 12.528 -6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.536 15.623 -5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.128 13.906 -5.201 1.00 0.00 H new ATOM 1542 N GLY A 104 4.918 11.341 -7.857 1.00 0.00 N ATOM 1543 CA GLY A 104 5.416 9.985 -7.699 1.00 0.00 C ATOM 1544 C GLY A 104 4.984 9.348 -6.391 1.00 0.00 C ATOM 1545 O GLY A 104 3.792 9.249 -6.111 1.00 0.00 O ATOM 0 H GLY A 104 5.598 12.073 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.062 9.374 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.505 9.994 -7.751 1.00 0.00 H new ATOM 1549 N MET A 105 5.958 8.928 -5.584 1.00 0.00 N ATOM 1550 CA MET A 105 5.679 8.307 -4.296 1.00 0.00 C ATOM 1551 C MET A 105 5.340 9.377 -3.278 1.00 0.00 C ATOM 1552 O MET A 105 5.211 9.103 -2.086 1.00 0.00 O ATOM 1553 CB MET A 105 6.898 7.522 -3.807 1.00 0.00 C ATOM 1554 CG MET A 105 7.763 6.973 -4.927 1.00 0.00 C ATOM 1555 SD MET A 105 6.845 5.921 -6.064 1.00 0.00 S ATOM 1556 CE MET A 105 5.930 4.920 -4.901 1.00 0.00 C ATOM 0 H MET A 105 6.951 9.009 -5.804 1.00 0.00 H new ATOM 0 HA MET A 105 4.837 7.625 -4.414 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.506 8.170 -3.175 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.559 6.695 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.202 7.803 -5.481 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.588 6.404 -4.498 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.810 3.914 -5.303 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.473 4.871 -3.957 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.948 5.363 -4.733 1.00 0.00 H new ATOM 1566 N ASN A 106 5.211 10.604 -3.760 1.00 0.00 N ATOM 1567 CA ASN A 106 4.906 11.733 -2.907 1.00 0.00 C ATOM 1568 C ASN A 106 3.401 11.950 -2.819 1.00 0.00 C ATOM 1569 O ASN A 106 2.895 12.460 -1.819 1.00 0.00 O ATOM 1570 CB ASN A 106 5.590 12.979 -3.459 1.00 0.00 C ATOM 1571 CG ASN A 106 6.862 12.652 -4.218 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.891 12.336 -3.621 1.00 0.00 O ATOM 1573 ND2 ASN A 106 6.796 12.725 -5.543 1.00 0.00 N ATOM 0 H ASN A 106 5.315 10.840 -4.747 1.00 0.00 H new ATOM 0 HA ASN A 106 5.276 11.531 -1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.901 13.506 -4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.824 13.656 -2.637 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.619 12.515 -6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.922 12.991 -5.996 1.00 0.00 H new ATOM 1580 N ALA A 107 2.692 11.556 -3.874 1.00 0.00 N ATOM 1581 CA ALA A 107 1.242 11.701 -3.918 1.00 0.00 C ATOM 1582 C ALA A 107 0.601 11.056 -2.698 1.00 0.00 C ATOM 1583 O ALA A 107 -0.261 11.646 -2.047 1.00 0.00 O ATOM 1584 CB ALA A 107 0.694 11.076 -5.192 1.00 0.00 C ATOM 0 H ALA A 107 3.099 11.134 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 107 1.000 12.764 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.390 11.189 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.130 11.574 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.949 10.016 -5.216 1.00 0.00 H new ATOM 1590 N TRP A 108 1.032 9.838 -2.399 1.00 0.00 N ATOM 1591 CA TRP A 108 0.510 9.098 -1.263 1.00 0.00 C ATOM 1592 C TRP A 108 1.165 9.568 0.033 1.00 0.00 C ATOM 1593 O TRP A 108 2.369 9.817 0.085 1.00 0.00 O ATOM 1594 CB TRP A 108 0.719 7.602 -1.484 1.00 0.00 C ATOM 1595 CG TRP A 108 0.101 7.123 -2.766 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.211 6.808 -2.976 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.766 6.917 -4.020 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.402 6.416 -4.279 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.203 6.470 -4.941 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.086 7.063 -4.451 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.110 6.171 -6.267 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.394 6.766 -5.765 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.411 6.325 -6.659 1.00 0.00 C ATOM 0 H TRP A 108 1.746 9.341 -2.932 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.560 9.286 -1.173 1.00 0.00 H new ATOM 0 HB2 TRP A 108 1.787 7.384 -1.495 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.290 7.050 -0.648 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.987 6.860 -2.226 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.292 6.131 -4.688 1.00 0.00 H new ATOM 0 HE3 TRP A 108 2.852 7.402 -3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.647 5.831 -6.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.412 6.876 -6.109 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.686 6.102 -7.679 1.00 0.00 H new ATOM 1614 N VAL A 109 0.343 9.723 1.063 1.00 0.00 N ATOM 1615 CA VAL A 109 0.795 10.209 2.366 1.00 0.00 C ATOM 1616 C VAL A 109 1.487 9.149 3.210 1.00 0.00 C ATOM 1617 O VAL A 109 2.174 9.480 4.177 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.372 10.745 3.176 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.091 11.812 4.155 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.476 11.272 2.270 1.00 0.00 C ATOM 0 H VAL A 109 -0.655 9.516 1.022 1.00 0.00 H new ATOM 0 HA VAL A 109 1.517 10.993 2.137 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.786 9.918 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.763 12.180 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.825 11.385 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.544 12.637 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.298 11.649 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.084 12.078 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.838 10.466 1.631 1.00 0.00 H new ATOM 1630 N ALA A 110 1.324 7.887 2.857 1.00 0.00 N ATOM 1631 CA ALA A 110 1.960 6.813 3.613 1.00 0.00 C ATOM 1632 C ALA A 110 3.451 6.771 3.325 1.00 0.00 C ATOM 1633 O ALA A 110 4.254 6.444 4.199 1.00 0.00 O ATOM 1634 CB ALA A 110 1.312 5.476 3.296 1.00 0.00 C ATOM 0 H ALA A 110 0.764 7.578 2.062 1.00 0.00 H new ATOM 0 HA ALA A 110 1.822 7.012 4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.801 4.689 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.255 5.513 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.414 5.265 2.231 1.00 0.00 H new ATOM 1640 N TRP A 111 3.816 7.131 2.103 1.00 0.00 N ATOM 1641 CA TRP A 111 5.217 7.161 1.723 1.00 0.00 C ATOM 1642 C TRP A 111 5.848 8.446 2.239 1.00 0.00 C ATOM 1643 O TRP A 111 7.015 8.463 2.626 1.00 0.00 O ATOM 1644 CB TRP A 111 5.383 7.041 0.205 1.00 0.00 C ATOM 1645 CG TRP A 111 6.816 6.973 -0.236 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.533 5.846 -0.518 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.708 8.077 -0.444 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.813 6.180 -0.890 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.945 7.543 -0.853 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.580 9.465 -0.326 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.044 8.348 -1.143 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.672 10.262 -0.616 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.890 9.701 -1.020 1.00 0.00 C ATOM 0 H TRP A 111 3.167 7.404 1.365 1.00 0.00 H new ATOM 0 HA TRP A 111 5.724 6.306 2.171 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.862 6.148 -0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.904 7.895 -0.274 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.150 4.838 -0.457 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.546 5.520 -1.151 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.645 9.906 -0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.985 7.919 -1.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.584 11.335 -0.530 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.725 10.350 -1.239 1.00 0.00 H new ATOM 1664 N ARG A 112 5.063 9.523 2.266 1.00 0.00 N ATOM 1665 CA ARG A 112 5.543 10.803 2.765 1.00 0.00 C ATOM 1666 C ARG A 112 5.232 10.951 4.249 1.00 0.00 C ATOM 1667 O ARG A 112 4.733 11.987 4.691 1.00 0.00 O ATOM 1668 CB ARG A 112 4.894 11.943 1.998 1.00 0.00 C ATOM 1669 CG ARG A 112 5.597 12.284 0.695 1.00 0.00 C ATOM 1670 CD ARG A 112 5.423 13.751 0.335 1.00 0.00 C ATOM 1671 NE ARG A 112 6.345 14.609 1.074 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.029 15.821 1.521 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.817 16.315 1.307 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.925 16.538 2.184 1.00 0.00 N ATOM 0 H ARG A 112 4.094 9.530 1.948 1.00 0.00 H new ATOM 0 HA ARG A 112 6.623 10.839 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.858 11.681 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.873 12.830 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.659 12.053 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.200 11.662 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.584 13.883 -0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.398 14.056 0.544 1.00 0.00 H new ATOM 0 HE ARG A 112 7.285 14.259 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.125 15.765 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.577 17.245 1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.858 16.160 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.682 17.468 2.527 1.00 0.00 H new ATOM 1688 N ASN A 113 5.535 9.915 5.012 1.00 0.00 N ATOM 1689 CA ASN A 113 5.298 9.931 6.449 1.00 0.00 C ATOM 1690 C ASN A 113 6.277 9.013 7.167 1.00 0.00 C ATOM 1691 O ASN A 113 7.027 9.446 8.043 1.00 0.00 O ATOM 1692 CB ASN A 113 3.861 9.505 6.756 1.00 0.00 C ATOM 1693 CG ASN A 113 3.021 10.649 7.288 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.472 11.440 6.521 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.915 10.742 8.609 1.00 0.00 N ATOM 0 H ASN A 113 5.946 9.050 4.662 1.00 0.00 H new ATOM 0 HA ASN A 113 5.450 10.949 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.401 9.110 5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.873 8.696 7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.361 11.491 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.387 10.064 9.207 1.00 0.00 H new ATOM 1702 N ARG A 114 6.251 7.740 6.798 1.00 0.00 N ATOM 1703 CA ARG A 114 7.122 6.749 7.413 1.00 0.00 C ATOM 1704 C ARG A 114 8.112 6.163 6.411 1.00 0.00 C ATOM 1705 O ARG A 114 8.842 5.224 6.731 1.00 0.00 O ATOM 1706 CB ARG A 114 6.281 5.629 8.017 1.00 0.00 C ATOM 1707 CG ARG A 114 5.899 5.866 9.470 1.00 0.00 C ATOM 1708 CD ARG A 114 4.668 6.749 9.586 1.00 0.00 C ATOM 1709 NE ARG A 114 3.440 5.964 9.690 1.00 0.00 N ATOM 1710 CZ ARG A 114 2.517 6.159 10.627 1.00 0.00 C ATOM 1711 NH1 ARG A 114 2.682 7.109 11.538 1.00 0.00 N ATOM 1712 NH2 ARG A 114 1.428 5.405 10.653 1.00 0.00 N ATOM 0 H ARG A 114 5.635 7.369 6.075 1.00 0.00 H new ATOM 0 HA ARG A 114 7.694 7.249 8.194 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.373 5.510 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.833 4.692 7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.709 4.910 9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.733 6.332 9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.763 7.391 10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.608 7.403 8.716 1.00 0.00 H new ATOM 0 HE ARG A 114 3.282 5.225 9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.519 7.692 11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.972 7.256 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.297 4.674 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 114 0.721 5.555 11.372 1.00 0.00 H new ATOM 1726 N CYS A 115 8.130 6.706 5.200 1.00 0.00 N ATOM 1727 CA CYS A 115 9.033 6.211 4.166 1.00 0.00 C ATOM 1728 C CYS A 115 10.096 7.243 3.804 1.00 0.00 C ATOM 1729 O CYS A 115 11.287 6.934 3.787 1.00 0.00 O ATOM 1730 CB CYS A 115 8.243 5.815 2.921 1.00 0.00 C ATOM 1731 SG CYS A 115 7.395 4.213 3.067 1.00 0.00 S ATOM 0 H CYS A 115 7.536 7.483 4.910 1.00 0.00 H new ATOM 0 HA CYS A 115 9.542 5.334 4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.504 6.588 2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.921 5.780 2.068 1.00 0.00 H new ATOM 1736 N LYS A 116 9.663 8.465 3.509 1.00 0.00 N ATOM 1737 CA LYS A 116 10.586 9.531 3.142 1.00 0.00 C ATOM 1738 C LYS A 116 11.536 9.853 4.291 1.00 0.00 C ATOM 1739 O LYS A 116 11.243 10.700 5.134 1.00 0.00 O ATOM 1740 CB LYS A 116 9.812 10.788 2.739 1.00 0.00 C ATOM 1741 CG LYS A 116 10.670 11.839 2.055 1.00 0.00 C ATOM 1742 CD LYS A 116 9.902 13.133 1.841 1.00 0.00 C ATOM 1743 CE LYS A 116 10.815 14.253 1.372 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.114 15.197 0.460 1.00 0.00 N ATOM 0 H LYS A 116 8.681 8.740 3.517 1.00 0.00 H new ATOM 0 HA LYS A 116 11.177 9.187 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.998 10.505 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.357 11.225 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.556 12.036 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.017 11.458 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.115 12.972 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.414 13.425 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.194 14.798 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.678 13.827 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.772 15.946 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.774 14.683 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.305 15.623 0.956 1.00 0.00 H new ATOM 1758 N GLY A 117 12.678 9.172 4.315 1.00 0.00 N ATOM 1759 CA GLY A 117 13.654 9.404 5.363 1.00 0.00 C ATOM 1760 C GLY A 117 14.271 8.123 5.891 1.00 0.00 C ATOM 1761 O GLY A 117 15.042 8.152 6.850 1.00 0.00 O ATOM 0 H GLY A 117 12.944 8.466 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.444 10.050 4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.177 9.937 6.185 1.00 0.00 H new ATOM 1765 N THR A 118 13.938 6.994 5.267 1.00 0.00 N ATOM 1766 CA THR A 118 14.474 5.704 5.690 1.00 0.00 C ATOM 1767 C THR A 118 15.266 5.048 4.559 1.00 0.00 C ATOM 1768 O THR A 118 15.883 5.737 3.747 1.00 0.00 O ATOM 1769 CB THR A 118 13.349 4.755 6.143 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.441 4.517 5.061 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.591 5.338 7.326 1.00 0.00 C ATOM 0 H THR A 118 13.302 6.948 4.471 1.00 0.00 H new ATOM 0 HA THR A 118 15.139 5.889 6.534 1.00 0.00 H new ATOM 0 HB THR A 118 13.803 3.813 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.080 5.371 4.743 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.802 4.649 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.278 5.490 8.159 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.150 6.293 7.041 1.00 0.00 H new ATOM 1779 N ASP A 119 15.250 3.717 4.511 1.00 0.00 N ATOM 1780 CA ASP A 119 15.972 2.986 3.478 1.00 0.00 C ATOM 1781 C ASP A 119 15.087 1.952 2.793 1.00 0.00 C ATOM 1782 O ASP A 119 14.892 0.848 3.301 1.00 0.00 O ATOM 1783 CB ASP A 119 17.191 2.315 4.061 1.00 0.00 C ATOM 1784 CG ASP A 119 18.321 2.184 3.058 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.656 3.196 2.406 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.870 1.071 2.925 1.00 0.00 O ATOM 0 H ASP A 119 14.746 3.127 5.174 1.00 0.00 H new ATOM 0 HA ASP A 119 16.285 3.710 2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.539 2.886 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.917 1.325 4.425 1.00 0.00 H new ATOM 1791 N VAL A 120 14.560 2.322 1.633 1.00 0.00 N ATOM 1792 CA VAL A 120 13.697 1.442 0.858 1.00 0.00 C ATOM 1793 C VAL A 120 14.504 0.315 0.230 1.00 0.00 C ATOM 1794 O VAL A 120 14.027 -0.814 0.113 1.00 0.00 O ATOM 1795 CB VAL A 120 12.957 2.213 -0.251 1.00 0.00 C ATOM 1796 CG1 VAL A 120 11.957 3.187 0.352 1.00 0.00 C ATOM 1797 CG2 VAL A 120 13.946 2.942 -1.148 1.00 0.00 C ATOM 0 H VAL A 120 14.718 3.235 1.206 1.00 0.00 H new ATOM 0 HA VAL A 120 12.961 1.025 1.546 1.00 0.00 H new ATOM 0 HB VAL A 120 12.409 1.496 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.444 3.723 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.228 2.638 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.482 3.900 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.404 3.481 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.525 3.649 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.619 2.220 -1.610 1.00 0.00 H new ATOM 1807 N GLN A 121 15.738 0.625 -0.159 1.00 0.00 N ATOM 1808 CA GLN A 121 16.617 -0.369 -0.756 1.00 0.00 C ATOM 1809 C GLN A 121 16.824 -1.515 0.221 1.00 0.00 C ATOM 1810 O GLN A 121 17.140 -2.639 -0.170 1.00 0.00 O ATOM 1811 CB GLN A 121 17.962 0.257 -1.130 1.00 0.00 C ATOM 1812 CG GLN A 121 18.741 -0.543 -2.162 1.00 0.00 C ATOM 1813 CD GLN A 121 20.168 -0.057 -2.321 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.602 0.278 -3.422 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.905 -0.015 -1.217 1.00 0.00 N ATOM 0 H GLN A 121 16.148 1.555 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 121 16.154 -0.750 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 121 17.791 1.262 -1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.568 0.360 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.749 -1.593 -1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.231 -0.482 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.503 -0.303 -0.325 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.873 0.305 -1.262 1.00 0.00 H new ATOM 1824 N ALA A 122 16.628 -1.214 1.501 1.00 0.00 N ATOM 1825 CA ALA A 122 16.771 -2.203 2.556 1.00 0.00 C ATOM 1826 C ALA A 122 15.443 -2.905 2.815 1.00 0.00 C ATOM 1827 O ALA A 122 15.411 -4.013 3.350 1.00 0.00 O ATOM 1828 CB ALA A 122 17.284 -1.549 3.830 1.00 0.00 C ATOM 0 H ALA A 122 16.368 -0.285 1.831 1.00 0.00 H new ATOM 0 HA ALA A 122 17.497 -2.949 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.386 -2.303 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.255 -1.092 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.580 -0.783 4.155 1.00 0.00 H new ATOM 1834 N TRP A 123 14.346 -2.253 2.429 1.00 0.00 N ATOM 1835 CA TRP A 123 13.014 -2.826 2.620 1.00 0.00 C ATOM 1836 C TRP A 123 12.868 -4.139 1.854 1.00 0.00 C ATOM 1837 O TRP A 123 11.951 -4.920 2.111 1.00 0.00 O ATOM 1838 CB TRP A 123 11.934 -1.839 2.174 1.00 0.00 C ATOM 1839 CG TRP A 123 11.464 -0.933 3.274 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.319 0.422 3.210 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.075 -1.315 4.599 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.867 0.902 4.416 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.711 -0.150 5.280 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.997 -2.530 5.278 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.281 -0.171 6.599 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.571 -2.549 6.587 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.215 -1.373 7.236 1.00 0.00 C ATOM 0 H TRP A 123 14.353 -1.335 1.985 1.00 0.00 H new ATOM 0 HA TRP A 123 12.888 -3.030 3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.322 -1.233 1.355 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.082 -2.396 1.783 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.528 1.028 2.341 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.679 1.881 4.632 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.269 -3.449 4.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.006 0.741 7.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.513 -3.489 7.116 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.881 -1.413 8.262 1.00 0.00 H new ATOM 1858 N ILE A 124 13.783 -4.381 0.920 1.00 0.00 N ATOM 1859 CA ILE A 124 13.765 -5.604 0.123 1.00 0.00 C ATOM 1860 C ILE A 124 15.110 -6.318 0.204 1.00 0.00 C ATOM 1861 O ILE A 124 15.382 -7.246 -0.557 1.00 0.00 O ATOM 1862 CB ILE A 124 13.434 -5.317 -1.353 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.211 -4.096 -1.849 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.938 -5.112 -1.531 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.167 -4.407 -2.981 1.00 0.00 C ATOM 0 H ILE A 124 14.548 -3.745 0.696 1.00 0.00 H new ATOM 0 HA ILE A 124 12.984 -6.243 0.536 1.00 0.00 H new ATOM 0 HB ILE A 124 13.735 -6.178 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.504 -3.335 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 124 14.772 -3.670 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.721 -4.910 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.408 -6.011 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.612 -4.268 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.683 -3.495 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.897 -5.145 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.610 -4.805 -3.829 1.00 0.00 H new ATOM 1877 N ARG A 125 15.944 -5.871 1.137 1.00 0.00 N ATOM 1878 CA ARG A 125 17.266 -6.455 1.334 1.00 0.00 C ATOM 1879 C ARG A 125 17.159 -7.904 1.798 1.00 0.00 C ATOM 1880 O ARG A 125 17.025 -8.176 2.992 1.00 0.00 O ATOM 1881 CB ARG A 125 18.060 -5.638 2.355 1.00 0.00 C ATOM 1882 CG ARG A 125 19.438 -5.223 1.863 1.00 0.00 C ATOM 1883 CD ARG A 125 20.534 -6.042 2.524 1.00 0.00 C ATOM 1884 NE ARG A 125 20.712 -7.340 1.879 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.815 -7.694 1.227 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.836 -6.851 1.133 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.900 -8.894 0.667 1.00 0.00 N ATOM 0 H ARG A 125 15.726 -5.103 1.771 1.00 0.00 H new ATOM 0 HA ARG A 125 17.789 -6.437 0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.492 -4.745 2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.170 -6.222 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.492 -5.346 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.597 -4.165 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.472 -5.488 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.291 -6.190 3.576 1.00 0.00 H new ATOM 0 HE ARG A 125 19.947 -8.013 1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.776 -5.928 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.681 -7.127 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.119 -9.546 0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.747 -9.165 0.167 1.00 0.00 H new ATOM 1901 N GLY A 126 17.219 -8.832 0.846 1.00 0.00 N ATOM 1902 CA GLY A 126 17.129 -10.242 1.177 1.00 0.00 C ATOM 1903 C GLY A 126 16.040 -10.956 0.398 1.00 0.00 C ATOM 1904 O GLY A 126 15.909 -12.177 0.479 1.00 0.00 O ATOM 0 H GLY A 126 17.328 -8.632 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.088 -10.720 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.937 -10.349 2.245 1.00 0.00 H new ATOM 1908 N CYS A 127 15.257 -10.192 -0.357 1.00 0.00 N ATOM 1909 CA CYS A 127 14.175 -10.753 -1.151 1.00 0.00 C ATOM 1910 C CYS A 127 14.710 -11.591 -2.307 1.00 0.00 C ATOM 1911 O CYS A 127 15.916 -11.803 -2.428 1.00 0.00 O ATOM 1912 CB CYS A 127 13.283 -9.646 -1.674 1.00 0.00 C ATOM 1913 SG CYS A 127 11.888 -9.232 -0.579 1.00 0.00 S ATOM 0 H CYS A 127 15.354 -9.180 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 127 13.590 -11.409 -0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.886 -8.752 -1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.891 -9.940 -2.648 1.00 0.00 H new ATOM 1918 N ARG A 128 13.802 -12.066 -3.155 1.00 0.00 N ATOM 1919 CA ARG A 128 14.181 -12.881 -4.303 1.00 0.00 C ATOM 1920 C ARG A 128 13.217 -12.666 -5.465 1.00 0.00 C ATOM 1921 O ARG A 128 12.081 -13.137 -5.438 1.00 0.00 O ATOM 1922 CB ARG A 128 14.209 -14.361 -3.916 1.00 0.00 C ATOM 1923 CG ARG A 128 15.252 -15.167 -4.673 1.00 0.00 C ATOM 1924 CD ARG A 128 15.221 -16.633 -4.272 1.00 0.00 C ATOM 1925 NE ARG A 128 16.561 -17.209 -4.195 1.00 0.00 N ATOM 1926 CZ ARG A 128 16.797 -18.507 -4.035 1.00 0.00 C ATOM 1927 NH1 ARG A 128 15.789 -19.362 -3.934 1.00 0.00 N ATOM 1928 NH2 ARG A 128 18.046 -18.952 -3.974 1.00 0.00 N ATOM 0 H ARG A 128 12.799 -11.900 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 128 15.178 -12.576 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 128 14.403 -14.445 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.225 -14.794 -4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.075 -15.078 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 128 16.243 -14.756 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.727 -16.734 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.627 -17.193 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 128 17.360 -16.580 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.828 -19.024 -3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.975 -20.357 -3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.825 -18.298 -4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.227 -19.948 -3.851 1.00 0.00 H new ATOM 1942 N LEU A 129 13.680 -11.949 -6.485 1.00 0.00 N ATOM 1943 CA LEU A 129 12.861 -11.669 -7.658 1.00 0.00 C ATOM 1944 C LEU A 129 13.704 -11.690 -8.929 1.00 0.00 C ATOM 1945 O LEU A 129 13.168 -12.077 -9.988 1.00 0.00 O ATOM 1946 CB LEU A 129 12.170 -10.312 -7.511 1.00 0.00 C ATOM 1947 CG LEU A 129 13.072 -9.174 -7.035 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.879 -7.939 -7.903 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.795 -8.850 -5.575 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.894 -11.318 -8.853 1.00 0.00 O ATOM 0 H LEU A 129 14.619 -11.552 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 129 12.103 -12.448 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.739 -10.035 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.343 -10.417 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 129 14.109 -9.497 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.530 -7.140 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.128 -8.178 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.840 -7.613 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.446 -8.037 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.754 -8.548 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.986 -9.732 -4.964 1.00 0.00 H new TER 1962 LEU A 129